# Supplementary Material (ESI) for Organic & Biomolecular Chemistry
# This journal is (c) The Royal Society of Chemistry 2008

data_global
_journal_name_full               Org.Biomol.Chem.

_journal_coden_Cambridge         0177

_publ_contact_author_name        'Jean Escudie'
_publ_contact_author_email       ESCUDIE@CHIMIE.UPS-TLSE.FR

_publ_section_title              
;
An unexpected epoxidation of benzil derivatives in their
reaction with a germene
;
loop_
_publ_author_name
'Jean Escudie'
'Sakina Ech-Cherif El Kettani'
'Mohamed Lazraq'
'Fatima Ouhsaine'
;
H.Ranaivonjatovo
;

data_2a
_database_code_depnum_ccdc_archive 'CCDC 689531'

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C45 H40 Ge O2'
_chemical_formula_weight         685.36

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ge Ge 0.1547 1.8001 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Triclinic
_symmetry_space_group_name_H-M   P-1

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   10.828(4)
_cell_length_b                   11.700(4)
_cell_length_c                   15.348(5)
_cell_angle_alpha                75.228(7)
_cell_angle_beta                 74.785(8)
_cell_angle_gamma                73.428(7)
_cell_volume                     1763.8(10)
_cell_formula_units_Z            2
_cell_measurement_temperature    173(2)
_cell_measurement_reflns_used    1355
_cell_measurement_theta_min      2.344
_cell_measurement_theta_max      21.211

_exptl_crystal_description       plate
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          0.4
_exptl_crystal_size_mid          0.3
_exptl_crystal_size_min          0.1
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.290
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             716
_exptl_absorpt_coefficient_mu    0.906
_exptl_absorpt_correction_type   none
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   ?

_exptl_special_details           
;
?
;

_diffrn_ambient_temperature      173(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker CCD detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            7319
_diffrn_reflns_av_R_equivalents  0.0930
_diffrn_reflns_av_sigmaI/netI    0.1657
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_theta_min         5.13
_diffrn_reflns_theta_max         22.46
_reflns_number_total             4524
_reflns_number_gt                2680
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker SMART'
_computing_cell_refinement       'Bruker SMART'
_computing_data_reduction        'Bruker SHELXTL'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_refine_special_details          
;
Refinement of F^2^ against ALL reflections. The weighted R-factor wR and
goodness of fit S are based on F^2^, conventional R-factors R are based
on F, with F set to zero for negative F^2^. The threshold expression of
F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. and is
not relevant to the choice of reflections for refinement. R-factors based
on F^2^ are statistically about twice as large as those based on F, and R-
factors based on ALL data will be even larger.
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[\s^2^(Fo^2^)+(0.0258P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         4524
_refine_ls_number_parameters     439
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1170
_refine_ls_R_factor_gt           0.0558
_refine_ls_wR_factor_ref         0.1095
_refine_ls_wR_factor_gt          0.0930
_refine_ls_goodness_of_fit_ref   0.903
_refine_ls_restrained_S_all      0.903
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ge1 Ge 0.33623(6) 0.38114(6) 0.27994(5) 0.0276(2) Uani 1 1 d . . .
O1 O 0.2458(3) 0.3000(3) 0.3834(3) 0.0271(9) Uani 1 1 d . . .
O2 O 0.4412(3) 0.1437(3) 0.3713(3) 0.0266(10) Uani 1 1 d . . .
C1 C 0.3768(5) 0.2368(4) 0.2177(4) 0.0209(14) Uani 1 1 d . . .
C2 C 0.3726(5) 0.1350(4) 0.3054(4) 0.0225(14) Uani 1 1 d . . .
C3 C 0.3004(5) 0.1761(5) 0.3909(4) 0.0265(15) Uani 1 1 d . . .
C4 C 0.5001(6) 0.2087(4) 0.1486(4) 0.0243(14) Uani 1 1 d . . .
C5 C 0.6296(6) 0.1914(4) 0.1556(4) 0.0314(15) Uani 1 1 d . . .
H5 H 0.6491 0.2031 0.2091 0.038 Uiso 1 1 calc R . .
C6 C 0.7294(6) 0.1570(5) 0.0839(5) 0.0453(18) Uani 1 1 d . . .
H6 H 0.8182 0.1452 0.0884 0.054 Uiso 1 1 calc R . .
C7 C 0.7031(8) 0.1393(5) 0.0055(6) 0.057(2) Uani 1 1 d . . .
H7 H 0.7734 0.1169 -0.0436 0.069 Uiso 1 1 calc R . .
C8 C 0.5745(8) 0.1543(5) -0.0014(5) 0.052(2) Uani 1 1 d . . .
H8 H 0.5565 0.1405 -0.0546 0.063 Uiso 1 1 calc R . .
C9 C 0.4723(7) 0.1895(5) 0.0692(5) 0.0378(17) Uani 1 1 d . . .
C10 C 0.3300(7) 0.2086(5) 0.0842(5) 0.0400(17) Uani 1 1 d . . .
C11 C 0.2520(9) 0.2001(6) 0.0278(5) 0.069(2) Uani 1 1 d . . .
H11 H 0.2905 0.1782 -0.0306 0.082 Uiso 1 1 calc R . .
C12 C 0.1175(10) 0.2245(8) 0.0593(7) 0.090(3) Uani 1 1 d . . .
H12 H 0.0630 0.2186 0.0219 0.108 Uiso 1 1 calc R . .
C13 C 0.0603(8) 0.2569(7) 0.1428(7) 0.071(2) Uani 1 1 d . . .
H13 H -0.0329 0.2749 0.1618 0.085 Uiso 1 1 calc R . .
C14 C 0.1373(6) 0.2638(5) 0.2008(5) 0.0429(18) Uani 1 1 d . . .
H14 H 0.0985 0.2844 0.2595 0.052 Uiso 1 1 calc R . .
C15 C 0.2728(6) 0.2392(5) 0.1689(4) 0.0321(16) Uani 1 1 d . . .
C16 C 0.3929(5) 0.0070(5) 0.2915(4) 0.0262(15) Uani 1 1 d . . .
C17 C 0.2918(6) -0.0312(5) 0.2762(4) 0.0379(17) Uani 1 1 d . . .
H17 H 0.2082 0.0232 0.2739 0.045 Uiso 1 1 calc R . .
C18 C 0.3136(7) -0.1498(6) 0.2642(5) 0.050(2) Uani 1 1 d . . .
H18 H 0.2453 -0.1761 0.2525 0.060 Uiso 1 1 calc R . .
C19 C 0.4333(8) -0.2284(6) 0.2693(5) 0.053(2) Uani 1 1 d . . .
H19 H 0.4465 -0.3098 0.2625 0.063 Uiso 1 1 calc R . .
C20 C 0.5345(7) -0.1923(5) 0.2840(5) 0.0502(19) Uani 1 1 d . . .
H20 H 0.6174 -0.2477 0.2871 0.060 Uiso 1 1 calc R . .
C21 C 0.5142(6) -0.0733(5) 0.2943(4) 0.0343(16) Uani 1 1 d . . .
H21 H 0.5843 -0.0469 0.3033 0.041 Uiso 1 1 calc R . .
C22 C 0.2314(6) 0.1025(5) 0.4720(4) 0.0256(14) Uani 1 1 d . . .
C23 C 0.2987(6) -0.0013(5) 0.5231(4) 0.0344(16) Uani 1 1 d . . .
H23 H 0.3921 -0.0247 0.5070 0.041 Uiso 1 1 calc R . .
C24 C 0.2326(7) -0.0704(5) 0.5962(5) 0.0424(18) Uani 1 1 d . . .
H24 H 0.2803 -0.1420 0.6294 0.051 Uiso 1 1 calc R . .
C25 C 0.0994(7) -0.0375(6) 0.6218(5) 0.0459(18) Uani 1 1 d . . .
H25 H 0.0539 -0.0844 0.6737 0.055 Uiso 1 1 calc R . .
C26 C 0.0312(6) 0.0647(6) 0.5715(5) 0.0431(17) Uani 1 1 d . . .
H26 H -0.0621 0.0865 0.5880 0.052 Uiso 1 1 calc R . .
C27 C 0.0955(6) 0.1360(5) 0.4976(4) 0.0350(16) Uani 1 1 d . . .
H27 H 0.0471 0.2074 0.4646 0.042 Uiso 1 1 calc R . .
C28 C 0.4918(5) 0.4123(4) 0.3037(4) 0.0263(15) Uani 1 1 d . . .
C29 C 0.5291(6) 0.3825(5) 0.3892(4) 0.0305(15) Uani 1 1 d . . .
C30 C 0.6456(6) 0.4069(5) 0.3928(5) 0.0386(17) Uani 1 1 d . . .
H30 H 0.6711 0.3858 0.4506 0.046 Uiso 1 1 calc R . .
C31 C 0.7259(6) 0.4596(5) 0.3181(5) 0.0368(17) Uani 1 1 d . . .
C32 C 0.6879(6) 0.4915(5) 0.2344(5) 0.0365(17) Uani 1 1 d . . .
H32 H 0.7424 0.5276 0.1815 0.044 Uiso 1 1 calc R . .
C33 C 0.5712(6) 0.4717(5) 0.2261(4) 0.0299(15) Uani 1 1 d . . .
C34 C 0.5326(5) 0.5156(5) 0.1331(4) 0.0382(17) Uani 1 1 d . . .
H34A H 0.5916 0.5654 0.0919 0.057 Uiso 1 1 calc R . .
H34B H 0.4418 0.5643 0.1404 0.057 Uiso 1 1 calc R . .
H34C H 0.5396 0.4454 0.1068 0.057 Uiso 1 1 calc R . .
C35 C 0.8507(6) 0.4836(6) 0.3284(5) 0.065(2) Uani 1 1 d . . .
H35A H 0.9087 0.4974 0.2678 0.098 Uiso 1 1 calc R . .
H35B H 0.8957 0.4133 0.3683 0.098 Uiso 1 1 calc R . .
H35C H 0.8288 0.5558 0.3558 0.098 Uiso 1 1 calc R . .
C36 C 0.4504(5) 0.3267(5) 0.4784(4) 0.0351(16) Uani 1 1 d . . .
H36A H 0.4850 0.2384 0.4905 0.053 Uiso 1 1 calc R . .
H36B H 0.3579 0.3451 0.4738 0.053 Uiso 1 1 calc R . .
H36C H 0.4571 0.3603 0.5288 0.053 Uiso 1 1 calc R . .
C37 C 0.2019(5) 0.5293(5) 0.2471(4) 0.0271(15) Uani 1 1 d . . .
C38 C 0.1330(5) 0.5946(5) 0.3183(4) 0.0268(15) Uani 1 1 d . . .
C39 C 0.0341(5) 0.7002(5) 0.2983(5) 0.0344(16) Uani 1 1 d . . .
H39 H -0.0140 0.7434 0.3461 0.041 Uiso 1 1 calc R . .
C40 C 0.0049(6) 0.7428(5) 0.2122(5) 0.0376(17) Uani 1 1 d . . .
C41 C 0.0769(6) 0.6800(5) 0.1440(5) 0.0428(17) Uani 1 1 d . . .
H41 H 0.0593 0.7100 0.0838 0.051 Uiso 1 1 calc R . .
C42 C 0.1756(5) 0.5735(5) 0.1590(5) 0.0339(16) Uani 1 1 d . . .
C43 C 0.1605(6) 0.5600(5) 0.4129(4) 0.0379(17) Uani 1 1 d . . .
H43A H 0.1115 0.6249 0.4470 0.057 Uiso 1 1 calc R . .
H43B H 0.2550 0.5478 0.4091 0.057 Uiso 1 1 calc R . .
H43C H 0.1332 0.4845 0.4447 0.057 Uiso 1 1 calc R . .
C44 C -0.1009(6) 0.8589(6) 0.1937(5) 0.063(2) Uani 1 1 d . . .
H44A H -0.1528 0.8486 0.1538 0.095 Uiso 1 1 calc R . .
H44B H -0.0591 0.9269 0.1632 0.095 Uiso 1 1 calc R . .
H44C H -0.1587 0.8758 0.2521 0.095 Uiso 1 1 calc R . .
C45 C 0.2475(6) 0.5195(5) 0.0754(4) 0.0485(19) Uani 1 1 d . . .
H45A H 0.3201 0.4511 0.0914 0.073 Uiso 1 1 calc R . .
H45B H 0.2826 0.5815 0.0267 0.073 Uiso 1 1 calc R . .
H45C H 0.1866 0.4907 0.0536 0.073 Uiso 1 1 calc R . .

loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_23
_atom_site_aniso_U_13
_atom_site_aniso_U_12
Ge1 0.0351(4) 0.0161(3) 0.0308(4) -0.0052(3) -0.0049(3) -0.0057(3)
O1 0.034(2) 0.014(2) 0.033(3) -0.0061(18) -0.006(2) -0.0044(18)
O2 0.025(2) 0.024(2) 0.031(3) -0.0059(19) -0.004(2) -0.0088(18)
C1 0.032(4) 0.015(3) 0.015(3) -0.004(3) -0.007(3) -0.002(3)
C2 0.021(3) 0.018(3) 0.030(4) -0.009(3) -0.004(3) -0.005(3)
C3 0.024(4) 0.017(3) 0.037(4) -0.008(3) -0.008(3) 0.003(3)
C4 0.035(4) 0.011(3) 0.021(4) -0.001(3) -0.001(3) -0.003(3)
C5 0.036(4) 0.014(3) 0.040(4) -0.001(3) -0.001(4) -0.009(3)
C6 0.043(4) 0.036(4) 0.046(5) -0.007(4) 0.006(4) -0.006(3)
C7 0.063(6) 0.028(4) 0.057(6) -0.003(4) 0.016(5) -0.006(4)
C8 0.092(6) 0.022(4) 0.036(5) -0.011(3) -0.008(5) -0.003(4)
C9 0.052(5) 0.019(4) 0.035(5) -0.011(3) -0.001(4) -0.001(3)
C10 0.063(5) 0.025(4) 0.036(5) -0.010(3) -0.023(4) -0.001(3)
C11 0.098(7) 0.068(5) 0.051(6) -0.024(4) -0.034(6) -0.008(5)
C12 0.080(7) 0.116(8) 0.090(8) -0.030(7) -0.049(7) -0.010(6)
C13 0.059(6) 0.076(6) 0.088(7) -0.015(5) -0.034(6) -0.015(4)
C14 0.048(5) 0.033(4) 0.052(5) -0.009(4) -0.022(4) -0.006(3)
C15 0.038(4) 0.016(3) 0.045(5) -0.009(3) -0.012(4) -0.004(3)
C16 0.022(3) 0.024(3) 0.029(4) -0.008(3) 0.003(3) -0.006(3)
C17 0.031(4) 0.030(4) 0.055(5) -0.016(3) -0.003(4) -0.011(3)
C18 0.050(5) 0.041(4) 0.072(6) -0.029(4) -0.002(4) -0.025(4)
C19 0.075(6) 0.025(4) 0.058(5) -0.015(4) 0.004(5) -0.024(4)
C20 0.056(5) 0.017(4) 0.064(5) -0.011(4) -0.004(4) 0.009(3)
C21 0.034(4) 0.021(4) 0.051(5) -0.010(3) -0.012(3) -0.006(3)
C22 0.033(4) 0.023(3) 0.025(4) -0.006(3) -0.007(3) -0.012(3)
C23 0.031(4) 0.032(4) 0.038(4) -0.004(3) -0.003(3) -0.009(3)
C24 0.057(5) 0.028(4) 0.039(5) 0.005(4) -0.007(4) -0.017(4)
C25 0.063(5) 0.033(4) 0.038(5) -0.001(4) 0.004(4) -0.023(4)
C26 0.039(4) 0.037(4) 0.051(5) -0.014(4) 0.003(4) -0.012(4)
C27 0.036(4) 0.022(4) 0.044(5) -0.010(3) 0.002(4) -0.008(3)
C28 0.029(4) 0.013(3) 0.033(4) -0.008(3) -0.001(3) 0.001(3)
C29 0.039(4) 0.014(3) 0.039(5) -0.010(3) -0.007(4) -0.004(3)
C30 0.041(4) 0.026(4) 0.055(5) -0.015(4) -0.015(4) -0.006(3)
C31 0.033(4) 0.025(4) 0.053(5) -0.014(4) -0.002(4) -0.008(3)
C32 0.031(4) 0.019(3) 0.055(5) -0.011(3) 0.007(4) -0.011(3)
C33 0.036(4) 0.010(3) 0.041(5) -0.006(3) -0.006(4) -0.002(3)
C34 0.046(4) 0.023(3) 0.039(4) -0.007(3) 0.012(4) -0.016(3)
C35 0.041(4) 0.072(5) 0.096(7) -0.032(5) -0.007(4) -0.025(4)
C36 0.046(4) 0.033(4) 0.033(4) -0.008(3) -0.015(4) -0.013(3)
C37 0.032(4) 0.018(3) 0.040(4) -0.007(3) -0.017(3) -0.010(3)
C38 0.027(4) 0.019(3) 0.037(4) -0.012(3) 0.002(3) -0.011(3)
C39 0.032(4) 0.023(4) 0.051(5) -0.019(4) -0.008(4) -0.002(3)
C40 0.033(4) 0.020(4) 0.057(5) -0.005(4) -0.011(4) -0.002(3)
C41 0.041(4) 0.035(4) 0.048(5) -0.001(4) -0.012(4) -0.006(3)
C42 0.025(4) 0.031(4) 0.045(5) -0.005(3) -0.007(4) -0.007(3)
C43 0.055(4) 0.020(4) 0.040(5) -0.011(3) -0.011(4) -0.004(3)
C44 0.047(4) 0.050(5) 0.085(6) -0.016(4) -0.022(4) 0.012(4)
C45 0.069(5) 0.030(4) 0.037(5) -0.004(3) -0.014(4) 0.004(3)

_geom_special_details            
;
All esds (except the esd in the dihedral angle between two l.s. planes)
are estimated using the full covariance matrix. The cell esds are taken
into account individually in the estimation of esds in distances, angles
and torsion angles; correlations between esds in cell parameters are only
used when they are defined by crystal symmetry. An approximate (isotropic)
treatment of cell esds is used for estimating esds involving l.s. planes.
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ge1 O1 1.824(4) . ?
Ge1 C28 1.961(5) . ?
Ge1 C37 1.968(5) . ?
Ge1 C1 2.034(5) . ?
O1 C3 1.388(6) . ?
O2 C3 1.431(6) . ?
O2 C2 1.441(6) . ?
C1 C4 1.483(7) . ?
C1 C15 1.499(7) . ?
C1 C2 1.553(7) . ?
C2 C3 1.461(7) . ?
C2 C16 1.512(7) . ?
C3 C22 1.477(7) . ?
C4 C5 1.387(7) . ?
C4 C9 1.412(8) . ?
C5 C6 1.376(8) . ?
C6 C7 1.383(9) . ?
C7 C8 1.381(8) . ?
C8 C9 1.381(8) . ?
C9 C10 1.456(8) . ?
C10 C15 1.374(8) . ?
C10 C11 1.396(8) . ?
C11 C12 1.379(10) . ?
C12 C13 1.367(10) . ?
C13 C14 1.398(8) . ?
C14 C15 1.389(7) . ?
C16 C21 1.384(7) . ?
C16 C17 1.385(7) . ?
C17 C18 1.391(8) . ?
C18 C19 1.367(8) . ?
C19 C20 1.369(8) . ?
C20 C21 1.389(7) . ?
C22 C27 1.385(7) . ?
C22 C23 1.390(7) . ?
C23 C24 1.367(8) . ?
C24 C25 1.359(8) . ?
C25 C26 1.377(8) . ?
C26 C27 1.379(8) . ?
C28 C29 1.404(7) . ?
C28 C33 1.421(7) . ?
C29 C30 1.388(7) . ?
C29 C36 1.508(8) . ?
C30 C31 1.368(8) . ?
C31 C32 1.380(8) . ?
C31 C35 1.511(7) . ?
C32 C33 1.391(7) . ?
C33 C34 1.514(8) . ?
C37 C42 1.392(8) . ?
C37 C38 1.416(7) . ?
C38 C39 1.411(7) . ?
C38 C43 1.490(7) . ?
C39 C40 1.375(8) . ?
C40 C41 1.371(8) . ?
C40 C44 1.524(7) . ?
C41 C42 1.404(7) . ?
C42 C45 1.503(8) . ?

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_3
_geom_angle_publ_flag
O1 Ge1 C28 111.4(2) . . ?
O1 Ge1 C37 102.3(2) . . ?
C28 Ge1 C37 114.0(2) . . ?
O1 Ge1 C1 90.22(18) . . ?
C28 Ge1 C1 113.9(2) . . ?
C37 Ge1 C1 121.1(2) . . ?
C3 O1 Ge1 109.1(3) . . ?
C3 O2 C2 61.1(3) . . ?
C4 C1 C15 102.9(5) . . ?
C4 C1 C2 111.7(4) . . ?
C15 C1 C2 109.1(4) . . ?
C4 C1 Ge1 120.9(4) . . ?
C15 C1 Ge1 113.8(3) . . ?
C2 C1 Ge1 98.3(3) . . ?
O2 C2 C3 59.1(3) . . ?
O2 C2 C16 114.1(4) . . ?
C3 C2 C16 123.4(5) . . ?
O2 C2 C1 114.6(4) . . ?
C3 C2 C1 115.1(4) . . ?
C16 C2 C1 116.9(5) . . ?
O1 C3 O2 114.4(4) . . ?
O1 C3 C2 116.2(5) . . ?
O2 C3 C2 59.8(3) . . ?
O1 C3 C22 112.9(5) . . ?
O2 C3 C22 117.6(5) . . ?
C2 C3 C22 125.2(5) . . ?
C5 C4 C9 120.0(6) . . ?
C5 C4 C1 129.5(5) . . ?
C9 C4 C1 110.3(5) . . ?
C6 C5 C4 119.0(6) . . ?
C5 C6 C7 121.4(6) . . ?
C8 C7 C6 119.9(7) . . ?
C9 C8 C7 119.9(7) . . ?
C8 C9 C4 119.7(6) . . ?
C8 C9 C10 133.2(7) . . ?
C4 C9 C10 107.1(6) . . ?
C15 C10 C11 120.2(7) . . ?
C15 C10 C9 109.6(6) . . ?
C11 C10 C9 130.2(7) . . ?
C12 C11 C10 118.1(7) . . ?
C13 C12 C11 121.8(8) . . ?
C12 C13 C14 120.8(7) . . ?
C15 C14 C13 117.3(7) . . ?
C10 C15 C14 121.9(6) . . ?
C10 C15 C1 110.0(5) . . ?
C14 C15 C1 128.0(6) . . ?
C21 C16 C17 119.5(5) . . ?
C21 C16 C2 119.5(5) . . ?
C17 C16 C2 121.0(5) . . ?
C16 C17 C18 119.6(6) . . ?
C19 C18 C17 120.0(6) . . ?
C18 C19 C20 121.3(6) . . ?
C19 C20 C21 119.0(6) . . ?
C16 C21 C20 120.6(5) . . ?
C27 C22 C23 118.6(5) . . ?
C27 C22 C3 119.6(5) . . ?
C23 C22 C3 121.9(5) . . ?
C24 C23 C22 120.9(6) . . ?
C25 C24 C23 120.7(6) . . ?
C24 C25 C26 119.0(6) . . ?
C25 C26 C27 121.5(6) . . ?
C26 C27 C22 119.3(6) . . ?
C29 C28 C33 118.6(5) . . ?
C29 C28 Ge1 125.9(4) . . ?
C33 C28 Ge1 115.5(4) . . ?
C30 C29 C28 118.2(6) . . ?
C30 C29 C36 117.3(6) . . ?
C28 C29 C36 124.5(5) . . ?
C31 C30 C29 124.0(6) . . ?
C30 C31 C32 117.9(6) . . ?
C30 C31 C35 120.4(6) . . ?
C32 C31 C35 121.6(6) . . ?
C31 C32 C33 121.2(6) . . ?
C32 C33 C28 120.0(6) . . ?
C32 C33 C34 118.0(6) . . ?
C28 C33 C34 122.0(5) . . ?
C42 C37 C38 119.7(5) . . ?
C42 C37 Ge1 123.8(4) . . ?
C38 C37 Ge1 116.4(4) . . ?
C39 C38 C37 118.4(6) . . ?
C39 C38 C43 117.7(5) . . ?
C37 C38 C43 123.9(5) . . ?
C40 C39 C38 122.3(6) . . ?
C41 C40 C39 117.8(5) . . ?
C41 C40 C44 121.9(6) . . ?
C39 C40 C44 120.3(6) . . ?
C40 C41 C42 123.1(6) . . ?
C37 C42 C41 118.7(6) . . ?
C37 C42 C45 125.7(5) . . ?
C41 C42 C45 115.6(6) . . ?

_diffrn_measured_fraction_theta_max 0.983
_diffrn_reflns_theta_full        22.46
_diffrn_measured_fraction_theta_full 0.983
_refine_diff_density_max         0.418
_refine_diff_density_min         -0.382
_refine_diff_density_rms         0.070

#===END