# Supplementary Material (ESI) for ChemComm # This journal is © The Royal Society of Chemistry, 1999 # CCDC Number: 182/1315 data_cytet _audit_creation_date 99-03-18 _audit_creation_method from_xtal_archive_file_using_CIFIO _audit_update_record ; 99-04-16 text and data added by Kiyohiko Nakajima ; _chemical_compound_source 'local laboratory' _chemical_name_systematic ; 1,2,3,4,5,6,7,8-Octapropyl-1,3,5,7-cyclooctatetraene ; _chemical_name_common 'Octapropylcyclooctatetraene' _chemical_formula_analytical 'C32 H56' _chemical_formula_moiety 'C32 H56' _chemical_formula_structural 'C32 H56' _chemical_formula_sum 'C32 H56' _chemical_formula_weight 440.80 _computing_data_collection 'CAD-4 (Enraf-Nonius, 1989)' _computing_cell_refinement 'CAD-4 (Enraf-Nonius, 1989)' _computing_data_reduction xtal_DIFDAT_ADDREF_SORTRF _computing_structure_solution 'SHELXS-86 (Sheldric, 1990)' _computing_structure_refinement xtal_CRYLSQ _computing_molecular_graphics xtal _computing_publication_material xtal_BONDLA_CIFIO _cell_length_a 9.5552(2) _cell_length_b 9.5131(3) _cell_length_c 17.1505(9) _cell_angle_alpha 88.553(4) _cell_angle_beta 83.021(3) _cell_angle_gamma 87.903(2) _cell_volume 1546.0(1) _cell_formula_units_Z 2 _cell_measurement_temperature 298 _cell_measurement_reflns_used 25 _cell_measurement_theta_min 44.23 _cell_measurement_theta_max 84.37 _cell_special_details none _symmetry_cell_setting triclinic _symmetry_space_group_name_H-M 'P1-' _symmetry_space_group_name_Hall -P_1 loop_ _symmetry_equiv_pos_as_xyz +x,+y,+z -x,-y,-z _exptl_crystal_description prism _exptl_crystal_preparation 'mounted on a glass fibre with epoxy resine' _exptl_crystal_colour colorless _exptl_crystal_size_max .25 _exptl_crystal_size_mid .20 _exptl_crystal_size_min .10 _exptl_crystal_density_diffrn .947 _exptl_crystal_density_meas ? _exptl_crystal_density_method ? _exptl_crystal_F_000 496 _exptl_absorpt_coefficient_mu .35 _exptl_absorpt_correction_type none _exptl_special_details none _diffrn_ambient_temperature 298 _diffrn_radiation_wavelength 1.54184 _diffrn_radiation_type 'Cu K\a' _diffrn_radiation_source 'Enraf-Nonius tube' _diffrn_radiation_monochromator graphite _diffrn_radiation_detector scintillation _diffrn_measurement_device 'Enraf-Nonius CAD4 4-circle-diffractometer' _diffrn_measurement_method 2\q-\w _diffrn_standards_number 3 _diffrn_standards_interval_time 120 _diffrn_standards_decay_% 0 loop_ _diffrn_standard_refln_index_h _diffrn_standard_refln_index_k _diffrn_standard_refln_index_l -3 -3 -5 4 0 -5 -5 6 -5 loop_ _diffrn_attenuator_code _diffrn_attenuator_scale 1 13.665 _diffrn_reflns_number 6676 _diffrn_reflns_av_R_equivalents .025 _diffrn_reflns_av_sigmaI/netI .094 _diffrn_reflns_limit_h_min -11 _diffrn_reflns_limit_h_max 0 _diffrn_reflns_limit_k_min -11 _diffrn_reflns_limit_k_max 11 _diffrn_reflns_limit_l_min -21 _diffrn_reflns_limit_l_max 21 _diffrn_reflns_theta_min 4.65 _diffrn_reflns_theta_max 74.3 _diffrn_reflns_reduction_process perpendicular_monochr_Lp loop_ _atom_type_symbol _atom_type_oxidation_number _atom_type_number_in_cell _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source C 0 64 .017 .009 Int._Tables_Vol_IV_Tables_2.2B_and_2.3.1 H 0 112 0 0 Int._Tables_Vol_IV_Tables_2.2B_and_2.3.1 loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv _atom_site_thermal_displace_type _atom_site_calc_flag _atom_site_calc_attached_atom C1 .3762(3) .5425(2) .2211(1) .058(2) Uani . . C2 .2503(3) .5212(2) .2806(2) .060(2) Uani . . C3 .1309(3) .5970(3) .2781(2) .063(2) Uani . . C4 .1154(3) .7137(3) .2198(2) .063(2) Uani . . C5 .1878(3) .8326(3) .2190(2) .062(2) Uani . . C6 .2929(3) .8547(3) .2750(2) .061(2) Uani . . C7 .4130(3) .7775(2) .2729(1) .057(2) Uani . . C8 .4481(3) .6618(3) .2162(2) .058(2) Uani . . C9 .4183(4) .4185(3) .1683(2) .072(2) Uani . . C10 .5463(4) .3279(4) .1891(3) .085(3) Uani . . C11 .5793(6) .2074(5) .1336(3) .113(4) Uani . . C12 .2685(4) .4046(3) .3405(2) .074(2) Uani . . C13 .3724(5) .4380(4) .3971(2) .087(3) Uani . . C14 .3961(8) .3153(6) .4532(4) .123(5) Uani . . C15 -.0027(3) .5682(3) .3339(2) .081(2) Uani . . C16 -.0842(4) .4386(4) .3125(3) .103(3) Uani . . C17 -.2103(6) .4127(7) .3730(4) .143(5) Uani . . C18 .0073(4) .6903(4) .1634(2) .085(3) Uani . . C19 .0515(5) .5703(4) .1068(3) .105(3) Uani . . C20 .1725(6) .6081(6) .0450(3) .116(4) Uani . . C21 .1651(3) .9555(3) .1630(2) .072(2) Uani . . C22 .0324(4) 1.0484(4) .1855(2) .089(3) Uani . . C23 .0123(6) 1.1589(5) .1216(4) .126(4) Uani . . C24 .2555(4) .9758(3) .3302(2) .083(3) Uani . . C25 .1244(5) .9536(5) .3880(3) .109(3) Uani . . C26 .1461(8) .8400(6) .4500(3) .129(5) Uani . . C27 .5239(3) .8037(3) .3274(2) .072(2) Uani . . C28 .6163(4) .9292(4) .3040(2) .088(3) Uani . . C29 .7090(5) .9603(6) .3664(3) .113(4) Uani . . C30 .5734(3) .6864(3) .1556(2) .071(2) Uani . . C31 .5464(4) .8054(4) .0977(2) .088(3) Uani . . C32 .6744(5) .8378(6) .0401(3) .114(4) Uani . . H9A .333(3) .358(3) .167(2) .10(1) Uiso . C9 H9B .442(3) .458(3) .109(2) .088(9) Uiso . C9 H10A .525(3) .296(3) .237(2) .10(1) Uiso . C10 H10B .636(4) .382(3) .189(2) .11(1) Uiso . C10 H11A .657(4) .153(4) .145(2) .14(2) Uiso . C11 H11B .606(4) .250(4) .084(3) .14(2) Uiso . C11 H11C .487(5) .126(5) .145(3) .18(2) Uiso . C11 H12A .180(4) .379(3) .370(2) .11(1) Uiso . C12 H12B .311(3) .317(3) .308(2) .10(1) Uiso . C12 H13A .336(3) .533(4) .421(2) .12(1) Uiso . C13 H13B .461(4) .470(4) .356(2) .14(1) Uiso . C13 H14A .315(4) .304(4) .488(2) .13(2) Uiso . C14 H14B .453(4) .347(4) .486(2) .13(2) Uiso . C14 H14C .436(4) .227(4) .419(2) .14(2) Uiso . C14 H15A -.074(3) .663(3) .329(1) .085(8) Uiso . C15 H15B .019(3) .554(3) .395(2) .11(1) Uiso . C15 H16A -.109(4) .456(4) .248(2) .14(1) Uiso . C16 H16B -.018(3) .336(4) .318(2) .12(1) Uiso . C16 H17A -.267(8) .508(8) .390(4) .31(4) Uiso . C17 H17B -.171(5) .386(5) .426(3) .19(2) Uiso . C17 H17C -.265(5) .319(5) .361(2) .17(2) Uiso . C17 H18A -.090(4) .675(3) .192(2) .11(1) Uiso . C18 H18B -.012(3) .782(3) .132(2) .078(8) Uiso . C18 H19A -.036(4) .552(3) .075(2) .14(1) Uiso . C19 H19B .084(3) .479(4) .140(2) .12(1) Uiso . C19 H20A .138(4) .700(4) .016(2) .13(1) Uiso . C20 H20B .208(5) .532(5) .005(3) .17(2) Uiso . C20 H20C .260(4) .631(4) .071(2) .13(1) Uiso . C20 H21A .162(3) .923(3) .110(2) .070(8) Uiso . C21 H21B .252(3) 1.015(3) .157(2) .11(1) Uiso . C21 H22A -.044(3) .984(3) .194(2) .10(1) Uiso . C22 H22B .031(3) 1.105(3) .242(2) .11(1) Uiso . C22 H23A -.067(4) 1.214(3) .134(2) .11(1) Uiso . C23 H23B .086(7) 1.230(7) .107(4) .25(3) Uiso . C23 H23C .002(4) 1.099(4) .060(3) .15(2) Uiso . C23 H24A .244(3) 1.064(3) .297(2) .087(9) Uiso . C24 H24B .338(3) .998(3) .363(2) .094(9) Uiso . C24 H25A .040(4) .924(3) .354(2) .12(1) Uiso . C25 H25B .090(3) 1.054(4) .413(2) .12(1) Uiso . C25 H26A .063(5) .816(4) .489(3) .15(2) Uiso . C26 H26B .203(5) .873(5) .482(3) .16(2) Uiso . C26 H26C .181(4) .737(5) .415(3) .17(2) Uiso . C26 H27A .479(3) .806(3) .392(2) .083(8) Uiso . C27 H27B .591(3) .709(3) .331(1) .085(8) Uiso . C27 H28A .548(3) 1.020(3) .297(2) .11(1) Uiso . C28 H28B .662(4) .926(4) .248(3) .15(2) Uiso . C28 H29A .773(4) 1.051(4) .346(2) .14(1) Uiso . C29 H29B .768(5) .890(5) .388(3) .16(2) Uiso . C29 H29C .649(4) .997(4) .419(3) .15(2) Uiso . C29 H30A .599(3) .599(3) .119(2) .092(9) Uiso . C30 H30B .654(3) .704(3) .181(2) .11(1) Uiso . C30 H31A .456(4) .793(3) .066(2) .12(1) Uiso . C31 H31B .500(4) .901(5) .125(3) .18(2) Uiso . C31 H32A .649(3) .919(3) .001(2) .11(1) Uiso . C32 H32B .726(5) .750(6) .004(3) .20(2) Uiso . C32 H32C .753(5) .881(5) .071(3) .18(2) Uiso . C32 loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_12 _atom_site_aniso_U_13 _atom_site_aniso_U_23 C1 .063(2) .052(1) .063(2) -.000(1) -.020(1) .000(1) C2 .065(2) .052(1) .067(2) -.009(1) -.019(1) -.001(1) C3 .064(2) .057(1) .071(2) -.010(1) -.015(1) -.007(1) C4 .058(2) .061(2) .072(2) -.001(1) -.019(1) -.002(1) C5 .061(2) .056(1) .070(2) .005(1) -.015(1) -.004(1) C6 .067(2) .050(1) .070(2) -.007(1) -.013(1) -.005(1) C7 .060(2) .052(1) .062(2) -.006(1) -.016(1) .000(1) C8 .056(2) .055(1) .064(2) .003(1) -.016(1) .003(1) C9 .080(2) .062(2) .077(2) .002(2) -.022(2) -.008(2) C10 .094(3) .068(2) .094(3) .012(2) -.021(2) -.003(2) C11 .125(4) .080(3) .128(4) .025(3) .002(3) -.007(3) C12 .081(2) .064(2) .079(2) -.010(2) -.016(2) .009(2) C13 .115(3) .078(2) .075(2) -.009(2) -.037(2) .012(2) C14 .165(5) .112(4) .099(3) -.011(4) -.052(4) .029(3) C15 .071(2) .079(2) .091(2) -.014(2) -.000(2) -.004(2) C16 .078(2) .101(3) .131(3) -.034(2) -.008(2) .008(2) C17 .104(3) .136(4) .184(6) -.040(3) .012(4) .030(4) C18 .072(2) .084(2) .106(3) -.010(2) -.040(2) .008(2) C19 .121(3) .091(3) .115(3) -.020(2) -.065(3) -.014(2) C20 .132(4) .132(4) .089(3) .005(3) -.035(3) -.018(3) C21 .067(2) .065(2) .084(2) .000(2) -.014(2) .007(2) C22 .080(2) .070(2) .115(3) .013(2) -.014(2) .012(2) C23 .111(3) .096(3) .167(5) .034(3) -.015(3) .036(3) C24 .092(2) .067(2) .094(2) .002(2) -.019(2) -.024(2) C25 .104(3) .108(3) .110(3) .012(2) .005(3) -.036(3) C26 .157(5) .143(4) .085(3) -.014(4) .002(3) -.016(3) C27 .077(2) .064(2) .080(2) -.014(2) -.028(2) .002(1) C28 .084(2) .084(2) .102(3) -.030(2) -.029(2) .003(2) C29 .105(3) .111(3) .136(4) -.034(3) -.051(3) -.006(3) C30 .065(2) .068(2) .079(2) -.002(1) -.007(2) .000(2) C31 .085(2) .093(2) .081(2) -.009(2) -.001(2) .019(2) C32 .112(3) .121(3) .101(3) -.017(3) .017(3) .020(3) _atom_sites_solution_primary direct _atom_sites_solution_secondary vecmap _atom_sites_solution_hydrogens difmap _refine_special_details sfls:_F_calc_weight_full_matrix _refine_ls_structure_factor_coef F _refine_ls_matrix_type full _refine_ls_weighting_scheme 'calc w= 1/(\s^2^(F)+0.000225F^2^)' _refine_ls_hydrogen_treatment refall _refine_ls_extinction_method none _refine_ls_extinction_coef .00000 _refine_ls_abs_structure_details none _refine_ls_abs_structure_Flack 0 _refine_ls_number_reflns 3160 _refine_ls_number_parameters 513 _refine_ls_number_restraints 0 _refine_ls_number_constraints 0 _refine_ls_R_factor_all .104 _refine_ls_R_factor_obs .053 _refine_ls_wR_factor_all .072 _refine_ls_wR_factor_obs .063 _refine_ls_goodness_of_fit_all 1.64 _refine_ls_goodness_of_fit_obs 2.128 _refine_ls_shift/esd_max .269 _refine_ls_shift/esd_mean .032 _refine_diff_density_min -.198 _refine_diff_density_max .188 loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance _geom_bond_site_symmetry_1 _geom_bond_site_symmetry_2 _geom_bond_publ_flag C1 C2 1.497(3) . . no C1 C8 1.344(3) . . no C1 C9 1.517(4) . . no C2 C3 1.331(4) . . no C2 C12 1.514(4) . . no C3 C4 1.490(4) . . no C3 C15 1.528(4) . . no C4 C5 1.346(4) . . no C4 C18 1.524(5) . . no C5 C6 1.496(4) . . no C5 C21 1.519(4) . . no C6 C7 1.337(4) . . no C6 C24 1.515(4) . . no C7 C8 1.489(3) . . no C7 C27 1.526(4) . . no C8 C30 1.508(4) . . no C9 C10 1.543(5) . . no C9 H9A 1.01(3) . . no C9 H9B 1.08(3) . . no C10 C11 1.508(6) . . no C10 H10A .87(3) . . no C10 H10B 1.01(3) . . no C11 H11A .93(4) . . no C11 H11B .94(4) . . no C11 H11C 1.19(5) . . no C12 C13 1.517(6) . . no C12 H12A .97(3) . . no C12 H12B 1.05(3) . . no C13 C14 1.522(7) . . no C13 H13A 1.04(3) . . no C13 H13B 1.08(4) . . no C14 H14A .93(4) . . no C14 H14B .89(4) . . no C14 H14C 1.06(4) . . no C15 C16 1.556(5) . . no C15 H15A 1.11(3) . . no C15 H15B 1.09(3) . . no C16 C17 1.515(7) . . no C16 H16A 1.16(4) . . no C16 H16B 1.15(3) . . no C17 H17A 1.07(7) . . no C17 H17B 1.05(6) . . no C17 H17C 1.09(5) . . no C18 C19 1.531(5) . . no C18 H18A 1.02(3) . . no C18 H18B 1.04(3) . . no C19 C20 1.518(7) . . no C19 H19A 1.07(4) . . no C19 H19B 1.09(3) . . no C20 H20A 1.06(4) . . no C20 H20B 1.03(5) . . no C20 H20C 1.03(4) . . no C21 C22 1.535(5) . . no C21 H21A .97(3) . . no C21 H21B 1.02(3) . . no C22 C23 1.524(7) . . no C22 H22A .97(3) . . no C22 H22B 1.11(3) . . no C23 H23A .91(3) . . no C23 H23B 1.00(6) . . no C23 H23C 1.22(5) . . no C24 C25 1.517(5) . . no C24 H24A 1.01(3) . . no C24 H24B 1.05(3) . . no C25 C26 1.523(7) . . no C25 H25A 1.10(4) . . no C25 H25B 1.08(3) . . no C26 H26A 1.01(4) . . no C26 H26B .88(5) . . no C26 H26C 1.18(5) . . no C27 C28 1.528(5) . . no C27 H27A 1.14(3) . . no C27 H27B 1.09(3) . . no C28 C29 1.512(7) . . no C28 H28A 1.08(3) . . no C28 H28B 1.01(4) . . no C29 H29A 1.10(4) . . no C29 H29B .95(5) . . no C29 H29C 1.06(4) . . no C30 C31 1.522(5) . . no C30 H30A 1.06(3) . . no C30 H30B .95(3) . . no C31 C32 1.512(6) . . no C31 H31A 1.09(4) . . no C31 H31B 1.09(4) . . no C32 H32A 1.05(3) . . no C32 H32B 1.12(5) . . no C32 H32C 1.07(5) . . no loop_ _geom_angle_atom_site_label_1 _geom_angle_atom_site_label_2 _geom_angle_atom_site_label_3 _geom_angle _geom_angle_site_symmetry_1 _geom_angle_site_symmetry_2 _geom_angle_site_symmetry_3 _geom_angle_publ_flag C2 C1 C8 122.1(2) . . . no C2 C1 C9 115.1(2) . . . no C8 C1 C9 122.8(2) . . . no C1 C2 C3 121.6(2) . . . no C1 C2 C12 114.8(2) . . . no C3 C2 C12 123.6(2) . . . no C2 C3 C4 123.0(2) . . . no C2 C3 C15 122.3(2) . . . no C4 C3 C15 114.7(2) . . . no C3 C4 C5 122.5(3) . . . no C3 C4 C18 114.8(2) . . . no C5 C4 C18 122.6(3) . . . no C4 C5 C6 122.2(2) . . . no C4 C5 C21 122.5(3) . . . no C6 C5 C21 115.3(2) . . . no C5 C6 C7 121.9(2) . . . no C5 C6 C24 114.5(2) . . . no C7 C6 C24 123.5(3) . . . no C6 C7 C8 122.0(2) . . . no C6 C7 C27 122.3(2) . . . no C8 C7 C27 115.7(2) . . . no C1 C8 C7 122.0(2) . . . no C1 C8 C30 122.9(2) . . . no C7 C8 C30 115.0(2) . . . no C1 C9 C10 115.6(3) . . . no C1 C9 H9A 109(2) . . . no C1 C9 H9B 108(1) . . . no C10 C9 H9A 111(2) . . . no C10 C9 H9B 108(1) . . . no H9A C9 H9B 105(2) . . . no C9 C10 C11 111.6(4) . . . no C9 C10 H10A 107(2) . . . no C9 C10 H10B 114(2) . . . no C11 C10 H10A 110(2) . . . no C11 C10 H10B 107(2) . . . no H10A C10 H10B 106(3) . . . no C10 C11 H11A 112(3) . . . no C10 C11 H11B 105(3) . . . no C10 C11 H11C 109(2) . . . no H11A C11 H11B 106(3) . . . no H11A C11 H11C 102(3) . . . no H11B C11 H11C 123(3) . . . no C2 C12 C13 113.2(3) . . . no C2 C12 H12A 113(2) . . . no C2 C12 H12B 106(2) . . . no C13 C12 H12A 109(2) . . . no C13 C12 H12B 107(2) . . . no H12A C12 H12B 108(2) . . . no C12 C13 C14 112.1(4) . . . no C12 C13 H13A 105(2) . . . no C12 C13 H13B 100(2) . . . no C14 C13 H13A 118(2) . . . no C14 C13 H13B 118(2) . . . no H13A C13 H13B 102(3) . . . no C13 C14 H14A 109(3) . . . no C13 C14 H14B 105(3) . . . no C13 C14 H14C 108(2) . . . no H14A C14 H14B 99(4) . . . no H14A C14 H14C 118(3) . . . no H14B C14 H14C 116(3) . . . no C3 C15 C16 114.4(3) . . . no C3 C15 H15A 106(1) . . . no C3 C15 H15B 112(1) . . . no C16 C15 H15A 107(1) . . . no C16 C15 H15B 108(2) . . . no H15A C15 H15B 109(2) . . . no C15 C16 C17 111.1(4) . . . no C15 C16 H16A 108(2) . . . no C15 C16 H16B 111(2) . . . no C17 C16 H16A 115(2) . . . no C17 C16 H16B 101(2) . . . no H16A C16 H16B 110(2) . . . no C16 C17 H17A 112(4) . . . no C16 C17 H17B 107(3) . . . no C16 C17 H17C 112(2) . . . no H17A C17 H17B 99(5) . . . no H17A C17 H17C 121(5) . . . no H17B C17 H17C 103(4) . . . no C4 C18 C19 112.7(3) . . . no C4 C18 H18A 112(2) . . . no C4 C18 H18B 110(2) . . . no C19 C18 H18A 111(2) . . . no C19 C18 H18B 110(1) . . . no H18A C18 H18B 100(2) . . . no C18 C19 C20 112.7(4) . . . no C18 C19 H19A 107(2) . . . no C18 C19 H19B 109(2) . . . no C20 C19 H19A 106(2) . . . no C20 C19 H19B 109(2) . . . no H19A C19 H19B 114(3) . . . no C19 C20 H20A 106(2) . . . no C19 C20 H20B 117(2) . . . no C19 C20 H20C 110(2) . . . no H20A C20 H20B 110(3) . . . no H20A C20 H20C 109(3) . . . no H20B C20 H20C 105(3) . . . no C5 C21 C22 115.5(3) . . . no C5 C21 H21A 111(1) . . . no C5 C21 H21B 109(2) . . . no C22 C21 H21A 108(1) . . . no C22 C21 H21B 110(2) . . . no H21A C21 H21B 103(2) . . . no C21 C22 C23 111.0(3) . . . no C21 C22 H22A 105(2) . . . no C21 C22 H22B 115(2) . . . no C23 C22 H22A 113(2) . . . no C23 C22 H22B 107(2) . . . no H22A C22 H22B 106(2) . . . no C22 C23 H23A 111(2) . . . no C22 C23 H23B 120(4) . . . no C22 C23 H23C 108(2) . . . no H23A C23 H23B 103(4) . . . no H23A C23 H23C 109(3) . . . no H23B C23 H23C 104(4) . . . no C6 C24 C25 113.8(3) . . . no C6 C24 H24A 107(2) . . . no C6 C24 H24B 113(1) . . . no C25 C24 H24A 111(1) . . . no C25 C24 H24B 108(2) . . . no H24A C24 H24B 104(2) . . . no C24 C25 C26 113.0(4) . . . no C24 C25 H25A 107(2) . . . no C24 C25 H25B 108(2) . . . no C26 C25 H25A 110(2) . . . no C26 C25 H25B 113(2) . . . no H25A C25 H25B 106(2) . . . no C25 C26 H26A 118(2) . . . no C25 C26 H26B 108(3) . . . no C25 C26 H26C 106(2) . . . no H26A C26 H26B 100(4) . . . no H26A C26 H26C 107(3) . . . no H26B C26 H26C 119(4) . . . no C7 C27 C28 115.0(3) . . . no C7 C27 H27A 113(1) . . . no C7 C27 H27B 109(1) . . . no C28 C27 H27A 112(1) . . . no C28 C27 H27B 109(1) . . . no H27A C27 H27B 97(2) . . . no C27 C28 C29 111.7(3) . . . no C27 C28 H28A 108(2) . . . no C27 C28 H28B 113(2) . . . no C29 C28 H28A 108(2) . . . no C29 C28 H28B 118(2) . . . no H28A C28 H28B 97(3) . . . no C28 C29 H29A 108(2) . . . no C28 C29 H29B 123(3) . . . no C28 C29 H29C 112(2) . . . no H29A C29 H29B 109(3) . . . no H29A C29 H29C 103(3) . . . no H29B C29 H29C 100(4) . . . no C8 C30 C31 112.8(3) . . . no C8 C30 H30A 112(1) . . . no C8 C30 H30B 110(2) . . . no C31 C30 H30A 103(2) . . . no C31 C30 H30B 111(2) . . . no H30A C30 H30B 108(2) . . . no C30 C31 C32 113.3(3) . . . no C30 C31 H31A 115(2) . . . no C30 C31 H31B 115(2) . . . no C32 C31 H31A 109(2) . . . no C32 C31 H31B 111(2) . . . no H31A C31 H31B 92(3) . . . no C31 C32 H32A 110(2) . . . no C31 C32 H32B 118(3) . . . no C31 C32 H32C 109(2) . . . no H32A C32 H32B 107(3) . . . no H32A C32 H32C 104(3) . . . no H32B C32 H32C 107(4) . . . no _reflns_limit_h_min 0 _reflns_limit_h_max 11 _reflns_limit_k_min -11 _reflns_limit_k_max 11 _reflns_limit_l_min -21 _reflns_limit_l_max 21 _reflns_number_total 6283 _reflns_number_observed 3160 _reflns_observed_criterion refl_observed_if_F~o~_>_3.00_sigma(F~o~) _reflns_d_resolution_high .801 _reflns_d_resolution_low 9.487 loop_ _reflns_scale_group_code _reflns_scale_meas_F 1 .590821 _publ_requested_journal 'Chem. Commun.' _publ_contact_author ; Prof. Tamotsu Takahashi Catalysis Research Center and Graduate School of Pharmaceutical Sciences Hokkaido University Kita-ku Sapporo 060-0811 Japan ; _publ_contact_author_phone +81_11_706_2911 _publ_contact_author_fax +81_11_706_3274 _publ_contact_author_email tamotsu@cat.hokudai.ac.jp loop_ _publ_author_name _publ_author_address 'Takahashi, T' ; Catalysis Research Center and Graduate School of Pharmaceutical Sciences Hokkaido University Kita-ku Sapporo 060-0811 Japan ; 'Sun, W H' ; Catalysis Research Center and Graduate School of Pharmaceutical Sciences Hokkaido University Kita-ku Sapporo 060-0811 Japan ; 'Nakajima, K' ; Department of Chemistry Aichi University of Education Igaya Aichi 448-8542 Japan ; #============================================================================== # (IUCr Office Use Only) _journal_date_recd_electronic ? _journal_date_to_coeditor ? _journal_date_from_coeditor ? _journal_date_accepted ? _journal_date_printers_first ? _journal_date_printers_final ? _journal_date_proofs_out ? _journal_date_proofs_in ? _journal_coeditor_name ? _journal_coeditor_code ? _journal_coeditor_notes ; ? ; _journal_techeditor_code ? _journal_techeditor_notes ; ? ; _journal_coden_ASTM ? _journal_name_full ? _journal_year ? _journal_volume ? _journal_issue ? _journal_page_first ? _journal_page_last ? _journal_suppl_publ_number ? _journal_suppl_publ_pages ? #===END