Supplementary Material (ESI) for Chemical Communications
This journal is © The Royal Society of Chemistry 2001

data_kat 

_database_code_CSD	151894


_journal_coden_Cambridge      182

_publ_requested_journal       'Chemical Communications'

loop_
_publ_author_name
'Gobel, A.'
'Imhof, W.'

_publ_contact_author_name    'Dr Wolfgang Imhof'   
_publ_contact_author_address 
;
Dr Wolfgang Imhof
Institut fur Anorganische und Analytiche Chemie der
Friedrich-Schiller-Universitat Jena
August-Bebel-Str. 2
Jena
07743
GERMANY
;         
_publ_contact_author_email      'Wolfgang.Imhof@rz.uni-jena.de' 


_audit_creation_method            SHELXL 
_chemical_name_systematic 
; 
? 
; 
_chemical_name_common             ? 
_chemical_formula_moiety          ? 
_chemical_formula_structural      ? 
_chemical_formula_analytical      ? 
_chemical_formula_sum             'C24 H27 N3 O2' 
_chemical_formula_weight          389.49 
_chemical_melting_point           ? 
_chemical_compound_source         ? 

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' 
'N'  'N'   0.0061   0.0033 
'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' 

_symmetry_cell_setting            orthorhmbic
_symmetry_space_group_name_H-M    P2(1)2(1)2(1) 

loop_ 
_symmetry_equiv_pos_as_xyz 
'x, y, z' 
'-x+1/2, -y, z+1/2' 
'-x, y+1/2, -z+1/2' 
'x+1/2, -y+1/2, -z' 

_cell_length_a                    8.2350(4) 
_cell_length_b                    11.1009(6) 
_cell_length_c                    23.0091(15) 
_cell_angle_alpha                 90.00 
_cell_angle_beta                  90.00 
_cell_angle_gamma                 90.00 
_cell_volume                      2103.4(2) 
_cell_formula_units_Z             4 
_cell_measurement_temperature     183(2) 
_cell_measurement_reflns_used     ? 
_cell_measurement_theta_min       ? 
_cell_measurement_theta_max       ? 

_exptl_crystal_description        plate
_exptl_crystal_colour             colourless
_exptl_crystal_size_max           0.3
_exptl_crystal_size_mid           0.1 
_exptl_crystal_size_min           0.02
_exptl_crystal_density_meas       ? 
_exptl_crystal_density_diffrn     1.230 
_exptl_crystal_density_method     ? 
_exptl_crystal_F_000              832 
_exptl_absorpt_coefficient_mu     0.079 
_exptl_absorpt_correction_type    ? 
_exptl_absorpt_correction_T_min   ? 
_exptl_absorpt_correction_T_max   ? 

_exptl_special_details 
; 
? 
; 

_diffrn_ambient_temperature       183(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        KAPPA-CCD
_diffrn_measurement_method        phi-scan, omega-scan 
_diffrn_standards_number          ? 
_diffrn_standards_interval_count  ? 
_diffrn_standards_interval_time   ? 
_diffrn_standards_decay_%         ? 
_diffrn_reflns_number             11462 
_diffrn_reflns_av_R_equivalents   0.1073 
_diffrn_reflns_av_sigmaI/netI     0.1452 
_diffrn_reflns_limit_h_min        -10 
_diffrn_reflns_limit_h_max        10 
_diffrn_reflns_limit_k_min        -14 
_diffrn_reflns_limit_k_max        14 
_diffrn_reflns_limit_l_min        -29 
_diffrn_reflns_limit_l_max        23 
_diffrn_reflns_theta_min          3.55 
_diffrn_reflns_theta_max          27.51 
_reflns_number_total              4734 
_reflns_number_observed           3079 
_reflns_observed_criterion        >2sigma(I) 

_computing_data_collection        DENZO 
_computing_cell_refinement        DENZO 
_computing_data_reduction         DENZO 
_computing_structure_solution     'SHELXS-86 (Sheldrick, 1990)' 
_computing_structure_refinement   'SHELXL-93 (Sheldrick, 1993)' 
_computing_molecular_graphics     XP 
_computing_publication_material   XP 

_refine_special_details 
; 
Refinement on F^2^ for ALL reflections except for 0 with very negative F^2^ 
or flagged by the user for potential systematic errors.  Weighted R-factors 
wR and all goodnesses 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 observed criterion 
of F^2^ > 2sigma(F^2^) is used only for calculating _R_factor_obs 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 w=1/[\s^2^(Fo^2^)+(0.0779P)^2^+0.6955P] 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     ? 
_refine_ls_extinction_method      none 
_refine_ls_extinction_coef        ? 
_refine_ls_abs_structure_details 
'Flack H D (1983), Acta Cryst. A39, 876-881' 
_refine_ls_abs_structure_Flack    -1.88(247) 
_refine_ls_number_reflns          4734 
_refine_ls_number_parameters      268 
_refine_ls_number_restraints      0 
_refine_ls_R_factor_all           0.1423 
_refine_ls_R_factor_obs           0.0830 
_refine_ls_wR_factor_all          0.1741 
_refine_ls_wR_factor_obs          0.1507 
_refine_ls_goodness_of_fit_all    0.987 
_refine_ls_goodness_of_fit_obs    1.069 
_refine_ls_restrained_S_all       0.987 
_refine_ls_restrained_S_obs       1.069 
_refine_ls_shift/esd_max          -0.152 
_refine_ls_shift/esd_mean         0.004 

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_thermal_displace_type 
_atom_site_occupancy 
_atom_site_calc_flag 
_atom_site_refinement_flags 
_atom_site_disorder_group 
N1 N 0.8878(3) 0.5240(3) 0.22062(13) 0.0276(7) Uani 1 d . . 
C1 C 0.8451(4) 0.5468(4) 0.2822(2) 0.0394(10) Uani 1 d . . 
H1A H 0.8952(4) 0.6224(4) 0.2963(2) 0.042(3) Uiso 1 calc R . 
H1B H 0.8807(4) 0.4794(4) 0.3073(2) 0.042(3) Uiso 1 calc R . 
C2 C 0.6601(4) 0.5568(4) 0.2812(2) 0.0372(9) Uani 1 d . . 
H2A H 0.6088(4) 0.4769(4) 0.2866(2) 0.042(3) Uiso 1 calc R . 
H2B H 0.6211(4) 0.6118(4) 0.3121(2) 0.042(3) Uiso 1 calc R . 
C3 C 0.6232(4) 0.6074(4) 0.2213(2) 0.0361(9) Uani 1 d . . 
H3A H 0.6452(4) 0.6950(4) 0.2195(2) 0.042(3) Uiso 1 calc R . 
H3B H 0.5090(4) 0.5923(4) 0.2101(2) 0.042(3) Uiso 1 calc R . 
C4 C 0.7403(4) 0.5372(3) 0.1829(2) 0.0275(8) Uani 1 d . . 
H4 H 0.6938(4) 0.4555(3) 0.1753(2) 0.021(8) Uiso 1 calc R . 
C5 C 0.7931(4) 0.5918(3) 0.1263(2) 0.0325(8) Uani 1 d . . 
H5A H 0.6980(4) 0.6048(3) 0.1007(2) 0.042(3) Uiso 1 calc R . 
H5B H 0.8466(4) 0.6704(3) 0.1331(2) 0.042(3) Uiso 1 calc R . 
O1 O 0.9050(3) 0.5091(2) 0.09948(11) 0.0322(6) Uani 1 d . . 
C6 C 1.0477(4) 0.4863(3) 0.1321(2) 0.0274(8) Uani 1 d . . 
C7 C 1.0391(4) 0.5248(3) 0.1967(2) 0.0261(8) Uani 1 d . . 
C8 C 1.0872(4) 0.3509(3) 0.1287(2) 0.0332(9) Uani 1 d . . 
H8A H 1.0447(4) 0.3077(3) 0.1631(2) 0.042(3) Uiso 1 calc R . 
H8B H 1.0402(4) 0.3146(3) 0.0931(2) 0.042(3) Uiso 1 calc R . 
C9 C 1.2728(4) 0.3466(3) 0.1270(2) 0.0321(9) Uani 1 d . . 
H9A H 1.3178(4) 0.3352(3) 0.1665(2) 0.042(3) Uiso 1 calc R . 
H9B H 1.3110(4) 0.2802(3) 0.1018(2) 0.042(3) Uiso 1 calc R . 
C10 C 1.3224(4) 0.4670(3) 0.10255(14) 0.0260(7) Uani 1 d . . 
O2 O 1.4574(3) 0.4939(2) 0.08476(12) 0.0375(7) Uani 1 d . . 
N2 N 1.1888(3) 0.5409(2) 0.10221(12) 0.0245(6) Uani 1 d . . 
C11 C 1.1934(4) 0.6655(3) 0.08504(14) 0.0238(7) Uani 1 d . . 
C12 C 1.0894(4) 0.7070(3) 0.0419(2) 0.0308(8) Uani 1 d . . 
H12 H 1.0168(4) 0.6528(3) 0.0233(2) 0.037(4) Uiso 1 calc R . 
C13 C 1.0913(4) 0.8277(3) 0.0259(2) 0.0337(9) Uani 1 d . . 
H13 H 1.0181(4) 0.8556(3) -0.0030(2) 0.037(4) Uiso 1 calc R . 
C14 C 1.1995(5) 0.9088(3) 0.0519(2) 0.0296(8) Uani 1 d . . 
C15 C 1.3067(5) 0.8645(3) 0.0932(2) 0.0336(9) Uani 1 d . . 
H15 H 1.3837(5) 0.9176(3) 0.1102(2) 0.037(4) Uiso 1 calc R . 
C16 C 1.3043(4) 0.7436(3) 0.1106(2) 0.0317(8) Uani 1 d . . 
H16 H 1.3774(4) 0.7153(3) 0.1395(2) 0.037(4) Uiso 1 calc R . 
C17 C 1.1983(6) 1.0418(3) 0.0352(2) 0.0462(10) Uani 1 d . . 
H17A H 1.1050(34) 1.0815(10) 0.0535(17) 0.131(10) Uiso 1 calc R . 
H17B H 1.1901(58) 1.0494(3) -0.0071(2) 0.131(10) Uiso 1 calc R . 
H17C H 1.2989(27) 1.0799(10) 0.0486(18) 0.131(10) Uiso 1 calc R . 
N3 N 1.1783(3) 0.5406(3) 0.22065(13) 0.0307(7) Uani 1 d . . 
C18 C 1.2065(4) 0.5592(3) 0.2809(2) 0.0284(8) Uani 1 d . . 
C19 C 1.2077(4) 0.4644(3) 0.3201(2) 0.0372(9) Uani 1 d . . 
H19 H 1.1833(4) 0.3855(3) 0.3068(2) 0.037(4) Uiso 1 calc R . 
C20 C 1.2440(4) 0.4824(4) 0.3788(2) 0.0389(10) Uani 1 d . . 
H20 H 1.2410(4) 0.4162(4) 0.4049(2) 0.037(4) Uiso 1 calc R . 
C21 C 1.2846(4) 0.5968(4) 0.3995(2) 0.0348(9) Uani 1 d . . 
C22 C 1.2899(4) 0.6910(3) 0.3597(2) 0.0331(9) Uani 1 d . . 
H22 H 1.3193(4) 0.7693(3) 0.3726(2) 0.037(4) Uiso 1 calc R . 
C23 C 1.2529(4) 0.6729(3) 0.3012(2) 0.0301(8) Uani 1 d . . 
H23 H 1.2593(4) 0.7386(3) 0.2748(2) 0.037(4) Uiso 1 calc R . 
C24 C 1.3189(6) 0.6189(5) 0.4636(2) 0.0580(13) Uani 1 d . . 
H24A H 1.2166(9) 0.6174(38) 0.4853(3) 0.131(10) Uiso 1 calc R . 
H24B H 1.3709(47) 0.6976(17) 0.4683(3) 0.131(10) Uiso 1 calc R . 
H24C H 1.3912(42) 0.5558(22) 0.4783(5) 0.131(10) Uiso 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 
N1 0.0227(13) 0.037(2) 0.023(2) 0.0007(14) 0.0015(12) 0.0006(13) 
C1 0.024(2) 0.064(3) 0.031(2) -0.008(2) 0.003(2) 0.000(2) 
C2 0.029(2) 0.051(2) 0.031(2) -0.002(2) 0.006(2) 0.003(2) 
C3 0.028(2) 0.041(2) 0.039(2) 0.005(2) 0.005(2) 0.003(2) 
C4 0.019(2) 0.034(2) 0.029(2) 0.001(2) -0.0001(14) -0.0026(14) 
C5 0.022(2) 0.042(2) 0.034(2) 0.008(2) -0.003(2) 0.002(2) 
O1 0.0236(11) 0.046(2) 0.0270(15) -0.0008(12) -0.0003(10) -0.0052(11) 
C6 0.022(2) 0.035(2) 0.025(2) 0.003(2) 0.0014(14) -0.004(2) 
C7 0.023(2) 0.029(2) 0.026(2) 0.005(2) 0.0054(14) 0.004(2) 
C8 0.035(2) 0.027(2) 0.038(2) -0.002(2) 0.006(2) -0.008(2) 
C9 0.034(2) 0.029(2) 0.033(2) -0.006(2) 0.006(2) 0.001(2) 
C10 0.030(2) 0.032(2) 0.016(2) -0.0036(15) 0.0015(14) 0.002(2) 
O2 0.0236(12) 0.045(2) 0.044(2) 0.0024(13) 0.0079(11) -0.0022(12) 
N2 0.0253(13) 0.0281(14) 0.0200(15) -0.0001(12) 0.0025(12) -0.0031(13) 
C11 0.0204(15) 0.031(2) 0.020(2) -0.0017(14) 0.0033(13) -0.002(2) 
C12 0.028(2) 0.037(2) 0.028(2) -0.002(2) -0.0054(15) -0.009(2) 
C13 0.035(2) 0.037(2) 0.029(2) 0.006(2) -0.007(2) 0.001(2) 
C14 0.033(2) 0.032(2) 0.024(2) 0.0006(15) 0.006(2) 0.003(2) 
C15 0.035(2) 0.037(2) 0.029(2) -0.007(2) 0.000(2) -0.010(2) 
C16 0.033(2) 0.037(2) 0.026(2) 0.001(2) -0.003(2) 0.000(2) 
C17 0.063(3) 0.028(2) 0.048(3) 0.003(2) -0.004(2) 0.000(2) 
N3 0.0249(14) 0.043(2) 0.025(2) -0.0025(14) -0.0003(12) 0.0015(14) 
C18 0.0158(14) 0.041(2) 0.028(2) -0.001(2) 0.0006(14) 0.005(2) 
C19 0.038(2) 0.037(2) 0.037(2) 0.001(2) 0.000(2) 0.003(2) 
C20 0.038(2) 0.044(2) 0.035(2) 0.014(2) -0.001(2) 0.003(2) 
C21 0.026(2) 0.055(2) 0.023(2) 0.001(2) 0.001(2) 0.011(2) 
C22 0.028(2) 0.038(2) 0.033(2) -0.004(2) 0.001(2) 0.006(2) 
C23 0.028(2) 0.038(2) 0.025(2) 0.005(2) 0.0009(14) 0.004(2) 
C24 0.064(3) 0.081(3) 0.029(2) 0.000(2) -0.011(2) 0.009(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 
N1 C7 1.362(4) . ? 
N1 C1 1.482(5) . ? 
N1 C4 1.500(4) . ? 
C1 C2 1.527(5) . ? 
C1 H1A 0.99 . ? 
C1 H1B 0.99 . ? 
C2 C3 1.520(6) . ? 
C2 H2A 0.99 . ? 
C2 H2B 0.99 . ? 
C3 C4 1.523(5) . ? 
C3 H3A 0.99 . ? 
C3 H3B 0.99 . ? 
C4 C5 1.502(5) . ? 
C4 H4 1.00 . ? 
C5 O1 1.439(4) . ? 
C5 H5A 0.99 . ? 
C5 H5B 0.99 . ? 
O1 C6 1.417(4) . ? 
C6 N2 1.480(4) . ? 
C6 C7 1.549(5) . ? 
C6 C8 1.540(5) . ? 
C7 N3 1.284(4) . ? 
C8 C9 1.530(5) . ? 
C8 H8A 0.99 . ? 
C8 H8B 0.99 . ? 
C9 C10 1.507(5) . ? 
C9 H9A 0.99 . ? 
C9 H9B 0.99 . ? 
C10 O2 1.221(4) . ? 
C10 N2 1.372(4) . ? 
N2 C11 1.440(4) . ? 
C11 C12 1.390(5) . ? 
C11 C16 1.389(5) . ? 
C12 C13 1.389(5) . ? 
C12 H12 0.95 . ? 
C13 C14 1.400(5) . ? 
C13 H13 0.95 . ? 
C14 C15 1.388(5) . ? 
C14 C17 1.525(5) . ? 
C15 C16 1.401(5) . ? 
C15 H15 0.95 . ? 
C16 H16 0.95 . ? 
C17 H17A 0.98 . ? 
C17 H17B 0.98 . ? 
C17 H17C 0.98 . ? 
N3 C18 1.420(5) . ? 
C18 C23 1.399(5) . ? 
C18 C19 1.386(5) . ? 
C19 C20 1.398(6) . ? 
C19 H19 0.95 . ? 
C20 C21 1.396(6) . ? 
C20 H20 0.95 . ? 
C21 C22 1.390(5) . ? 
C21 C24 1.521(6) . ? 
C22 C23 1.394(5) . ? 
C22 H22 0.95 . ? 
C23 H23 0.95 . ? 
C24 H24A 0.98 . ? 
C24 H24B 0.98 . ? 
C24 H24C 0.98 . ? 

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 
C7 N1 C1 127.0(3) . . ? 
C7 N1 C4 120.4(3) . . ? 
C1 N1 C4 110.1(3) . . ? 
N1 C1 C2 103.6(3) . . ? 
N1 C1 H1A 111.0(2) . . ? 
C2 C1 H1A 111.0(2) . . ? 
N1 C1 H1B 111.0(2) . . ? 
C2 C1 H1B 111.0(2) . . ? 
H1A C1 H1B 109.0 . . ? 
C3 C2 C1 103.8(3) . . ? 
C3 C2 H2A 111.0(2) . . ? 
C1 C2 H2A 111.0(2) . . ? 
C3 C2 H2B 111.0(2) . . ? 
C1 C2 H2B 111.0(2) . . ? 
H2A C2 H2B 109.0 . . ? 
C2 C3 C4 102.2(3) . . ? 
C2 C3 H3A 111.3(2) . . ? 
C4 C3 H3A 111.3(2) . . ? 
C2 C3 H3B 111.3(2) . . ? 
C4 C3 H3B 111.3(2) . . ? 
H3A C3 H3B 109.2 . . ? 
N1 C4 C5 107.9(3) . . ? 
N1 C4 C3 103.1(3) . . ? 
C5 C4 C3 118.7(3) . . ? 
N1 C4 H4 108.9(2) . . ? 
C5 C4 H4 108.9(2) . . ? 
C3 C4 H4 108.9(2) . . ? 
O1 C5 C4 107.4(3) . . ? 
O1 C5 H5A 110.2(2) . . ? 
C4 C5 H5A 110.2(2) . . ? 
O1 C5 H5B 110.2(2) . . ? 
C4 C5 H5B 110.2(2) . . ? 
H5A C5 H5B 108.5 . . ? 
C6 O1 C5 114.7(3) . . ? 
O1 C6 N2 109.4(3) . . ? 
O1 C6 C7 114.9(3) . . ? 
N2 C6 C7 111.7(3) . . ? 
O1 C6 C8 108.8(3) . . ? 
N2 C6 C8 102.1(3) . . ? 
C7 C6 C8 109.2(3) . . ? 
N3 C7 N1 130.1(3) . . ? 
N3 C7 C6 114.1(3) . . ? 
N1 C7 C6 115.3(3) . . ? 
C9 C8 C6 104.1(3) . . ? 
C9 C8 H8A 110.9(2) . . ? 
C6 C8 H8A 110.9(2) . . ? 
C9 C8 H8B 110.9(2) . . ? 
C6 C8 H8B 110.9(2) . . ? 
H8A C8 H8B 109.0 . . ? 
C10 C9 C8 104.6(3) . . ? 
C10 C9 H9A 110.8(2) . . ? 
C8 C9 H9A 110.8(2) . . ? 
C10 C9 H9B 110.8(2) . . ? 
C8 C9 H9B 110.8(2) . . ? 
H9A C9 H9B 108.9 . . ? 
O2 C10 N2 125.6(3) . . ? 
O2 C10 C9 126.1(3) . . ? 
N2 C10 C9 108.3(3) . . ? 
C10 N2 C11 123.7(3) . . ? 
C10 N2 C6 112.5(3) . . ? 
C11 N2 C6 122.8(3) . . ? 
C12 C11 C16 120.0(3) . . ? 
C12 C11 N2 119.9(3) . . ? 
C16 C11 N2 120.0(3) . . ? 
C13 C12 C11 120.1(3) . . ? 
C13 C12 H12 120.0(2) . . ? 
C11 C12 H12 120.0(2) . . ? 
C12 C13 C14 121.0(3) . . ? 
C12 C13 H13 119.5(2) . . ? 
C14 C13 H13 119.5(2) . . ? 
C15 C14 C13 117.9(3) . . ? 
C15 C14 C17 121.3(4) . . ? 
C13 C14 C17 120.8(4) . . ? 
C14 C15 C16 121.7(3) . . ? 
C14 C15 H15 119.1(2) . . ? 
C16 C15 H15 119.1(2) . . ? 
C15 C16 C11 119.1(3) . . ? 
C15 C16 H16 120.4(2) . . ? 
C11 C16 H16 120.5(2) . . ? 
C14 C17 H17A 109.5(2) . . ? 
C14 C17 H17B 109.5(2) . . ? 
H17A C17 H17B 109.5 . . ? 
C14 C17 H17C 109.5(2) . . ? 
H17A C17 H17C 109.5 . . ? 
H17B C17 H17C 109.5 . . ? 
C7 N3 C18 125.8(3) . . ? 
C23 C18 C19 117.7(3) . . ? 
C23 C18 N3 120.2(3) . . ? 
C19 C18 N3 121.7(3) . . ? 
C18 C19 C20 121.5(4) . . ? 
C18 C19 H19 119.3(2) . . ? 
C20 C19 H19 119.3(2) . . ? 
C21 C20 C19 120.7(4) . . ? 
C21 C20 H20 119.7(2) . . ? 
C19 C20 H20 119.7(2) . . ? 
C20 C21 C22 117.8(3) . . ? 
C20 C21 C24 121.4(4) . . ? 
C22 C21 C24 120.8(4) . . ? 
C23 C22 C21 121.4(3) . . ? 
C23 C22 H22 119.3(2) . . ? 
C21 C22 H22 119.3(2) . . ? 
C18 C23 C22 120.8(3) . . ? 
C18 C23 H23 119.6(2) . . ? 
C22 C23 H23 119.6(2) . . ? 
C21 C24 H24A 109.5(2) . . ? 
C21 C24 H24B 109.5(3) . . ? 
H24A C24 H24B 109.5 . . ? 
C21 C24 H24C 109.5(2) . . ? 
H24A C24 H24C 109.5 . . ? 
H24B C24 H24C 109.5 . . ? 

_refine_diff_density_max    0.214 
_refine_diff_density_min   -0.275 
_refine_diff_density_rms    0.047