# Electronic Supplementary Material (ESI) for ChemComm.
# This journal is © The Royal Society of Chemistry 2022

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_20220810
_audit_block_doi                 10.5517/ccdc.csd.cc2cqcn4
_database_code_depnum_ccdc_archive 'CCDC 2196246'
loop_
_audit_author_name
_audit_author_address
'takashi nisikata'
;Yamaguchi university
Japan
;
_audit_update_record             
;
2022-08-10 deposited with the CCDC.	2022-10-05 downloaded from the CCDC.
;

#==============================================================================
# CHEMICAL DATA

_chemical_formula_sum            'C23 H30 N2 O3'
_chemical_formula_moiety         'C23 H30 N2 O3'
_chemical_formula_weight         382.50
_chemical_melting_point          ?

#==============================================================================
# CRYSTAL DATA
_space_group_crystal_system      monoclinic
_space_group_name_H-M_alt        'P 1 21/n 1'
_space_group_name_Hall           '-P 2yn'
_space_group_IT_number           14
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 +X,+Y,+Z
2 1/2-X,1/2+Y,1/2-Z
3 -X,-Y,-Z
4 -1/2+X,-1/2-Y,-1/2+Z
#------------------------------------------------------------------------------
_cell_length_a                   10.4876(4)
_cell_length_b                   10.0201(3)
_cell_length_c                   19.9689(6)
_cell_angle_alpha                90.0000
_cell_angle_beta                 92.1419(13)
_cell_angle_gamma                90.0000
_cell_volume                     2097.00(12)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    10457
_cell_measurement_theta_min      3.02
_cell_measurement_theta_max      27.48
_cell_measurement_temperature    203
#------------------------------------------------------------------------------
_exptl_crystal_description       block
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          0.400
_exptl_crystal_size_mid          0.400
_exptl_crystal_size_min          0.200
_exptl_crystal_density_diffrn    1.211
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             824.00
_exptl_absorpt_coefficient_mu    0.080
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'ABSCOR (Rigaku, 1995)'
_exptl_absorpt_correction_T_min  0.671
_exptl_absorpt_correction_T_max  0.984

#==============================================================================
# EXPERIMENTAL DATA

_diffrn_ambient_temperature      203
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71075
_diffrn_measurement_device_type  'Rigaku R-AXIS RAPID'
_diffrn_measurement_method       ω
_diffrn_detector_area_resol_mean 10.000
_diffrn_reflns_number            20298
_diffrn_reflns_av_unetI/netI     0.0355
_diffrn_reflns_av_R_equivalents  0.0464
_diffrn_reflns_theta_max         27.484
_diffrn_reflns_theta_min         3.017
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measured_fraction_theta_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_limit_l_max       25
_diffrn_standards_number         0
_diffrn_standards_interval_count .
_diffrn_standards_decay_%        ?
_reflns_number_total             4790
_reflns_number_gt                3772
_reflns_threshold_expression     F²>2.0σ(F²)
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

#==============================================================================
# REFINEMENT DATA

_refine_special_details          
;
    Refinement was performed using all reflections. The weighted 
    R-factor (wR) and goodness of fit (S) are based on F².
    R-factor (gt) are based on F. The threshold expression of
    F² > 2.0 sigma(F²) is used only for calculating R-factor (gt).
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_R_factor_all          0.0632
_refine_ls_R_factor_gt           0.0467
_refine_ls_wR_factor_ref         0.1139
_refine_ls_wR_factor_gt          0.1057
_refine_ls_number_restraints     0
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_reflns         4790
_refine_ls_number_parameters     261
_refine_ls_goodness_of_fit_ref   1.053
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w = 1/[σ²(Fo²)+(0.0442P)²+0.5184P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_refine_ls_shift/su_max          0.000
_refine_diff_density_max         0.21
_refine_diff_density_min         -0.16
_refine_ls_extinction_method     SHELXL
_refine_ls_extinction_coef       0.0128(12)

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 for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
H H 0.0000 0.0000
;
International Tables for Crystallography
(Vol. C, Table 6.1.1.4)
;
N N 0.0061 0.0033
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
O O 0.0106 0.0060
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;

#==============================================================================
# ATOMIC COORDINATES AND THERMAL PARAMETERS

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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
O1 O 0.36846(10) -0.20631(10) 0.72647(5) 0.0437(3) Uani 1 1 d . . . . .
O2 O 0.08283(9) -0.28513(10) 0.53212(5) 0.0410(3) Uani 1 1 d . . . . .
O3 O -0.11085(9) 0.10898(11) 0.62571(6) 0.0487(3) Uani 1 1 d . . . . .
N1 N 0.32162(10) -0.00043(11) 0.68072(5) 0.0317(3) Uani 1 1 d . . . . .
N2 N 0.36307(15) 0.42370(14) 0.43737(6) 0.0516(4) Uani 1 1 d . . . . .
C1 C -0.03236(15) -0.31761(17) 0.49580(8) 0.0450(4) Uani 1 1 d . . . . .
H1A H -0.057724 -0.243258 0.467191 0.054 Uiso 1 1 calc R U . . .
H1B H -0.098953 -0.335683 0.526989 0.054 Uiso 1 1 calc R U . . .
H1C H -0.018906 -0.396035 0.468475 0.054 Uiso 1 1 calc R U . . .
C2 C -0.22610(13) 0.08643(17) 0.58839(8) 0.0449(4) Uani 1 1 d . . . . .
H2A H -0.261686 0.001113 0.601026 0.054 Uiso 1 1 calc R U . . .
H2B H -0.209341 0.085745 0.540946 0.054 Uiso 1 1 calc R U . . .
H2C H -0.286314 0.156972 0.597598 0.054 Uiso 1 1 calc R U . . .
C3 C -0.02388(13) -0.09163(14) 0.57703(7) 0.0336(3) Uani 1 1 d . . . . .
H3 H -0.100817 -0.111223 0.553412 0.040 Uiso 1 1 calc R U . . .
C4 C 0.08183(13) -0.17371(14) 0.57206(6) 0.0318(3) Uani 1 1 d . . . . .
C5 C 0.19563(13) -0.14581(14) 0.60646(6) 0.0329(3) Uani 1 1 d . . . . .
H5 H 0.266523 -0.202281 0.602515 0.039 Uiso 1 1 calc R U . . .
C6 C 0.20361(12) -0.03337(14) 0.64684(6) 0.0309(3) Uani 1 1 d . . . . .
C7 C 0.09979(13) 0.05049(14) 0.65318(7) 0.0340(3) Uani 1 1 d . . . . .
H7 H 0.105610 0.126313 0.680839 0.041 Uiso 1 1 calc R U . . .
C8 C -0.01296(13) 0.02035(14) 0.61788(7) 0.0349(3) Uani 1 1 d . . . . .
C9 C 0.39078(13) -0.08754(15) 0.72011(6) 0.0335(3) Uani 1 1 d . . . . .
C10 C 0.49723(13) -0.00973(14) 0.75686(7) 0.0342(3) Uani 1 1 d . . . . .
C11 C 0.62117(15) -0.08910(18) 0.75974(9) 0.0496(4) Uani 1 1 d . . . . .
H11A H 0.645912 -0.109649 0.714564 0.060 Uiso 1 1 calc R U . . .
H11B H 0.608829 -0.171434 0.784209 0.060 Uiso 1 1 calc R U . . .
H11C H 0.687706 -0.036766 0.782270 0.060 Uiso 1 1 calc R U . . .
C12 C 0.45369(16) 0.01655(18) 0.82811(7) 0.0480(4) Uani 1 1 d . . . . .
H12A H 0.434985 -0.067665 0.849601 0.058 Uiso 1 1 calc R U . . .
H12B H 0.377594 0.071645 0.826149 0.058 Uiso 1 1 calc R U . . .
H12C H 0.520942 0.062277 0.853663 0.058 Uiso 1 1 calc R U . . .
C13 C 0.50471(12) 0.11782(14) 0.71479(6) 0.0335(3) Uani 1 1 d . . . . .
H13 H 0.559270 0.097771 0.676660 0.040 Uiso 1 1 calc R U . . .
C14 C 0.55972(16) 0.24092(17) 0.74949(8) 0.0483(4) Uani 1 1 d . . . . .
H14A H 0.645583 0.221929 0.766600 0.058 Uiso 1 1 calc R U . . .
H14B H 0.506724 0.265457 0.786325 0.058 Uiso 1 1 calc R U . . .
H14C H 0.561992 0.314034 0.717720 0.058 Uiso 1 1 calc R U . . .
C15 C 0.36835(12) 0.13826(13) 0.68591(6) 0.0310(3) Uani 1 1 d . . . . .
H15 H 0.317734 0.187898 0.718559 0.037 Uiso 1 1 calc R U . . .
C16 C 0.36363(12) 0.21079(14) 0.61970(7) 0.0312(3) Uani 1 1 d . . . . .
C17 C 0.39872(13) 0.15003(14) 0.56049(7) 0.0358(3) Uani 1 1 d . . . . .
H17 H 0.422754 0.059647 0.561206 0.043 Uiso 1 1 calc R U . . .
C18 C 0.39910(14) 0.21936(14) 0.50062(7) 0.0369(3) Uani 1 1 d . . . . .
H18 H 0.423271 0.175316 0.461514 0.044 Uiso 1 1 calc R U . . .
C19 C 0.36396(13) 0.35450(14) 0.49730(7) 0.0350(3) Uani 1 1 d . . . . .
C20 C 0.32882(13) 0.41511(15) 0.55681(7) 0.0378(3) Uani 1 1 d . . . . .
H20 H 0.304647 0.505445 0.556547 0.045 Uiso 1 1 calc R U . . .
C21 C 0.32915(13) 0.34380(14) 0.61617(7) 0.0356(3) Uani 1 1 d . . . . .
H21 H 0.305089 0.387323 0.655442 0.043 Uiso 1 1 calc R U . . .
C22 C 0.4061(2) 0.36236(19) 0.37781(8) 0.0584(5) Uani 1 1 d . . . . .
H22A H 0.349103 0.289867 0.364862 0.070 Uiso 1 1 calc R U . . .
H22B H 0.491646 0.327631 0.386003 0.070 Uiso 1 1 calc R U . . .
H22C H 0.406979 0.427900 0.342077 0.070 Uiso 1 1 calc R U . . .
C23 C 0.32413(16) 0.56180(16) 0.43444(8) 0.0460(4) Uani 1 1 d . . . . .
H23A H 0.378780 0.614131 0.464618 0.055 Uiso 1 1 calc R U . . .
H23B H 0.236368 0.569315 0.447676 0.055 Uiso 1 1 calc R U . . .
H23C H 0.331068 0.594754 0.389045 0.055 Uiso 1 1 calc R U . . .


#==============================================================================
_computing_data_collection       'RAPID AUTO (Rigaku, ????)'
_computing_cell_refinement       'RAPID AUTO'
_computing_data_reduction        'RAPID AUTO'
_computing_structure_solution    'SIR2014 (Burla, et al., 2014)'
_computing_structure_refinement  'SHELXL Version 2018/3 (Sheldrick, 2008)'
_computing_publication_material  'CrystalStructure 4.3 (Rigaku, 2019)'
_computing_molecular_graphics    'CrystalStructure 4.3'

#==============================================================================
# MOLECULAR GEOMETRY

_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
O1 C9 1.2204(17) . ?
O2 C4 1.3724(16) . ?
O2 C1 1.4233(17) . ?
O3 C8 1.3708(17) . ?
O3 C2 1.4142(17) . ?
N1 C9 1.3654(17) . ?
N1 C6 1.4267(16) . ?
N1 C15 1.4759(17) . ?
N2 C19 1.3828(18) . ?
N2 C22 1.427(2) . ?
N2 C23 1.443(2) . ?
C1 H1A 0.9700 . ?
C1 H1B 0.9700 . ?
C1 H1C 0.9700 . ?
C2 H2A 0.9700 . ?
C2 H2B 0.9700 . ?
C2 H2C 0.9700 . ?
C3 C4 1.3870(19) . ?
C3 C8 1.389(2) . ?
C3 H3 0.9400 . ?
C4 C5 1.3832(19) . ?
C5 C6 1.3863(19) . ?
C5 H5 0.9400 . ?
C6 C7 1.3849(19) . ?
C7 C8 1.3870(19) . ?
C7 H7 0.9400 . ?
C9 C10 1.5269(19) . ?
C10 C11 1.523(2) . ?
C10 C13 1.5330(19) . ?
C10 C12 1.5332(19) . ?
C11 H11A 0.9700 . ?
C11 H11B 0.9700 . ?
C11 H11C 0.9700 . ?
C12 H12A 0.9700 . ?
C12 H12B 0.9700 . ?
C12 H12C 0.9700 . ?
C13 C14 1.518(2) . ?
C13 C15 1.5355(18) . ?
C13 H13 0.9900 . ?
C14 H14A 0.9700 . ?
C14 H14B 0.9700 . ?
C14 H14C 0.9700 . ?
C15 C16 1.5080(18) . ?
C15 H15 0.9900 . ?
C16 C21 1.382(2) . ?
C16 C17 1.3916(18) . ?
C17 C18 1.3828(19) . ?
C17 H17 0.9400 . ?
C18 C19 1.404(2) . ?
C18 H18 0.9400 . ?
C19 C20 1.396(2) . ?
C20 C21 1.384(2) . ?
C20 H20 0.9400 . ?
C21 H21 0.9400 . ?
C22 H22A 0.9700 . ?
C22 H22B 0.9700 . ?
C22 H22C 0.9700 . ?
C23 H23A 0.9700 . ?
C23 H23B 0.9700 . ?
C23 H23C 0.9700 . ?

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
C4 O2 C1 117.22(11) . . ?
C8 O3 C2 117.74(12) . . ?
C9 N1 C6 123.92(11) . . ?
C9 N1 C15 113.18(11) . . ?
C6 N1 C15 122.08(11) . . ?
C19 N2 C22 120.88(14) . . ?
C19 N2 C23 120.57(13) . . ?
C22 N2 C23 118.49(13) . . ?
O2 C1 H1A 109.5 . . ?
O2 C1 H1B 109.5 . . ?
H1A C1 H1B 109.5 . . ?
O2 C1 H1C 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?
O3 C2 H2A 109.5 . . ?
O3 C2 H2B 109.5 . . ?
H2A C2 H2B 109.5 . . ?
O3 C2 H2C 109.5 . . ?
H2A C2 H2C 109.5 . . ?
H2B C2 H2C 109.5 . . ?
C4 C3 C8 118.19(13) . . ?
C4 C3 H3 120.9 . . ?
C8 C3 H3 120.9 . . ?
O2 C4 C5 115.33(12) . . ?
O2 C4 C3 123.20(12) . . ?
C5 C4 C3 121.45(13) . . ?
C4 C5 C6 119.04(13) . . ?
C4 C5 H5 120.5 . . ?
C6 C5 H5 120.5 . . ?
C7 C6 C5 121.04(12) . . ?
C7 C6 N1 119.17(12) . . ?
C5 C6 N1 119.75(12) . . ?
C6 C7 C8 118.67(13) . . ?
C6 C7 H7 120.7 . . ?
C8 C7 H7 120.7 . . ?
O3 C8 C7 115.40(12) . . ?
O3 C8 C3 122.99(13) . . ?
C7 C8 C3 121.61(13) . . ?
O1 C9 N1 125.70(13) . . ?
O1 C9 C10 125.99(13) . . ?
N1 C9 C10 108.27(12) . . ?
C11 C10 C9 111.05(12) . . ?
C11 C10 C13 113.26(12) . . ?
C9 C10 C13 102.35(10) . . ?
C11 C10 C12 109.75(13) . . ?
C9 C10 C12 107.21(11) . . ?
C13 C10 C12 112.86(12) . . ?
C10 C11 H11A 109.5 . . ?
C10 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
C10 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C10 C12 H12A 109.5 . . ?
C10 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
C10 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C14 C13 C10 116.97(12) . . ?
C14 C13 C15 113.31(12) . . ?
C10 C13 C15 104.54(10) . . ?
C14 C13 H13 107.2 . . ?
C10 C13 H13 107.2 . . ?
C15 C13 H13 107.2 . . ?
C13 C14 H14A 109.5 . . ?
C13 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
C13 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
N1 C15 C16 113.09(11) . . ?
N1 C15 C13 101.71(11) . . ?
C16 C15 C13 113.15(10) . . ?
N1 C15 H15 109.5 . . ?
C16 C15 H15 109.5 . . ?
C13 C15 H15 109.5 . . ?
C21 C16 C17 117.11(13) . . ?
C21 C16 C15 120.62(12) . . ?
C17 C16 C15 122.21(12) . . ?
C18 C17 C16 121.61(13) . . ?
C18 C17 H17 119.2 . . ?
C16 C17 H17 119.2 . . ?
C17 C18 C19 121.06(13) . . ?
C17 C18 H18 119.5 . . ?
C19 C18 H18 119.5 . . ?
N2 C19 C20 121.67(13) . . ?
N2 C19 C18 121.17(13) . . ?
C20 C19 C18 117.16(13) . . ?
C21 C20 C19 120.81(13) . . ?
C21 C20 H20 119.6 . . ?
C19 C20 H20 119.6 . . ?
C16 C21 C20 122.26(13) . . ?
C16 C21 H21 118.9 . . ?
C20 C21 H21 118.9 . . ?
N2 C22 H22A 109.5 . . ?
N2 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
N2 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
N2 C23 H23A 109.5 . . ?
N2 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
N2 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C1 O2 C4 C5 179.97(12) . . . . ?
C1 O2 C4 C3 -1.54(19) . . . . ?
C8 C3 C4 O2 -178.52(12) . . . . ?
C8 C3 C4 C5 -0.1(2) . . . . ?
O2 C4 C5 C6 178.65(11) . . . . ?
C3 C4 C5 C6 0.1(2) . . . . ?
C4 C5 C6 C7 0.1(2) . . . . ?
C4 C5 C6 N1 -177.68(11) . . . . ?
C9 N1 C6 C7 130.01(14) . . . . ?
C15 N1 C6 C7 -38.84(17) . . . . ?
C9 N1 C6 C5 -52.15(17) . . . . ?
C15 N1 C6 C5 139.01(13) . . . . ?
C5 C6 C7 C8 -0.4(2) . . . . ?
N1 C6 C7 C8 177.44(12) . . . . ?
C2 O3 C8 C7 177.10(12) . . . . ?
C2 O3 C8 C3 -2.2(2) . . . . ?
C6 C7 C8 O3 -178.93(12) . . . . ?
C6 C7 C8 C3 0.4(2) . . . . ?
C4 C3 C8 O3 179.12(13) . . . . ?
C4 C3 C8 C7 -0.1(2) . . . . ?
C6 N1 C9 O1 7.5(2) . . . . ?
C15 N1 C9 O1 177.19(13) . . . . ?
C6 N1 C9 C10 -170.28(11) . . . . ?
C15 N1 C9 C10 -0.55(14) . . . . ?
O1 C9 C10 C11 42.43(19) . . . . ?
N1 C9 C10 C11 -139.83(12) . . . . ?
O1 C9 C10 C13 163.59(13) . . . . ?
N1 C9 C10 C13 -18.67(13) . . . . ?
O1 C9 C10 C12 -77.46(18) . . . . ?
N1 C9 C10 C12 100.28(13) . . . . ?
C11 C10 C13 C14 -84.30(16) . . . . ?
C9 C10 C13 C14 156.08(12) . . . . ?
C12 C10 C13 C14 41.18(17) . . . . ?
C11 C10 C13 C15 149.49(12) . . . . ?
C9 C10 C13 C15 29.88(13) . . . . ?
C12 C10 C13 C15 -85.02(13) . . . . ?
C9 N1 C15 C16 141.12(11) . . . . ?
C6 N1 C15 C16 -48.94(15) . . . . ?
C9 N1 C15 C13 19.46(13) . . . . ?
C6 N1 C15 C13 -170.60(11) . . . . ?
C14 C13 C15 N1 -158.44(11) . . . . ?
C10 C13 C15 N1 -29.98(12) . . . . ?
C14 C13 C15 C16 79.94(14) . . . . ?
C10 C13 C15 C16 -151.60(11) . . . . ?
N1 C15 C16 C21 141.44(13) . . . . ?
C13 C15 C16 C21 -103.58(14) . . . . ?
N1 C15 C16 C17 -41.49(17) . . . . ?
C13 C15 C16 C17 73.49(16) . . . . ?
C21 C16 C17 C18 0.0(2) . . . . ?
C15 C16 C17 C18 -177.22(13) . . . . ?
C16 C17 C18 C19 0.0(2) . . . . ?
C22 N2 C19 C20 176.43(15) . . . . ?
C23 N2 C19 C20 -0.6(2) . . . . ?
C22 N2 C19 C18 -4.3(2) . . . . ?
C23 N2 C19 C18 178.67(14) . . . . ?
C17 C18 C19 N2 -179.37(14) . . . . ?
C17 C18 C19 C20 0.0(2) . . . . ?
N2 C19 C20 C21 179.37(14) . . . . ?
C18 C19 C20 C21 0.0(2) . . . . ?
C17 C16 C21 C20 0.1(2) . . . . ?
C15 C16 C21 C20 177.27(12) . . . . ?
C19 C20 C21 C16 -0.1(2) . . . . ?


#==============================================================================
# Additional structures and associated data_? identifiers
# should be added at this point if there is more than one 
# structure analysis in the CIF.





#==============================================================================
#     End of CIF
#==============================================================================
