# Electronic Supplementary Material (ESI) for Organic Chemistry Frontiers.
# This journal is © the Partner Organisations 2019

####################################################################### 
# 
# 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_170928a
_database_code_depnum_ccdc_archive 'CCDC 1880994'
_audit_update_record             
;
2018-11-24 deposited with the CCDC.
2019-01-03 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C30 H25 N O2'
_chemical_formula_weight         431.51

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           Monoclinic
_symmetry_space_group_name_H-M   P2(1)/c

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

_cell_length_a                   5.7768(5)
_cell_length_b                   26.401(2)
_cell_length_c                   15.2336(14)
_cell_angle_alpha                90.00
_cell_angle_beta                 95.248(2)
_cell_angle_gamma                90.00
_cell_volume                     2313.6(3)
_cell_formula_units_Z            4
_cell_measurement_temperature    298(2)
_cell_measurement_reflns_used    1293
_cell_measurement_theta_min      2.676
_cell_measurement_theta_max      26.017

_exptl_crystal_description       block
_exptl_crystal_colour            yellow
_exptl_crystal_size_max          0.37
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.04
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.239
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             912
_exptl_absorpt_coefficient_mu    0.077
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.9721
_exptl_absorpt_correction_T_max  0.9969
_exptl_absorpt_process_details   sadabs

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      298(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  'CCD area 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            11699
_diffrn_reflns_av_R_equivalents  0.1091
_diffrn_reflns_av_sigmaI/netI    0.1270
_diffrn_reflns_limit_h_min       -6
_diffrn_reflns_limit_h_max       6
_diffrn_reflns_limit_k_min       -31
_diffrn_reflns_limit_k_max       31
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_theta_min         2.68
_diffrn_reflns_theta_max         25.02
_reflns_number_total             4072
_reflns_number_gt                1741
_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 F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² 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/[σ²(Fo²)+(0.0004P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         4072
_refine_ls_number_parameters     298
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1742
_refine_ls_R_factor_gt           0.0652
_refine_ls_wR_factor_ref         0.0817
_refine_ls_wR_factor_gt          0.0690
_refine_ls_goodness_of_fit_ref   1.006
_refine_ls_restrained_S_all      1.006
_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
N1 N -0.0779(5) 0.72411(8) 0.84659(15) 0.0505(7) Uani 1 1 d . . .
O1 O -0.2324(4) 0.70281(6) 0.90651(11) 0.0500(6) Uani 1 1 d . . .
O2 O 0.0289(4) 0.63851(7) 0.95428(11) 0.0521(6) Uani 1 1 d . . .
C1 C 0.1412(6) 0.73858(10) 0.89960(17) 0.0530(9) Uani 1 1 d . . .
H1 H 0.2712 0.7191 0.8799 0.064 Uiso 1 1 calc R . .
C2 C 0.0990(6) 0.72293(9) 0.99394(16) 0.0558(10) Uani 1 1 d . . .
H2A H 0.2393 0.7092 1.0249 0.067 Uiso 1 1 calc R . .
H2B H 0.0464 0.7515 1.0269 0.067 Uiso 1 1 calc R . .
C3 C -0.0863(6) 0.68325(10) 0.98083(19) 0.0482(9) Uani 1 1 d . . .
C4 C -0.2430(6) 0.67262(11) 1.05161(18) 0.0507(9) Uani 1 1 d . . .
C5 C -0.2807(6) 0.70705(11) 1.1178(2) 0.0610(10) Uani 1 1 d . . .
H5 H -0.2027 0.7379 1.1208 0.073 Uiso 1 1 calc R . .
C6 C -0.4337(7) 0.69543(13) 1.1791(2) 0.0695(11) Uani 1 1 d . . .
H6 H -0.4565 0.7182 1.2240 0.083 Uiso 1 1 calc R . .
C7 C -0.5531(7) 0.65016(14) 1.1740(2) 0.0741(11) Uani 1 1 d . . .
H7 H -0.6596 0.6429 1.2145 0.089 Uiso 1 1 calc R . .
C8 C -0.5150(7) 0.61567(12) 1.1091(2) 0.0718(11) Uani 1 1 d . . .
H8 H -0.5957 0.5851 1.1060 0.086 Uiso 1 1 calc R . .
C9 C -0.3563(6) 0.62619(11) 1.04805(19) 0.0540(9) Uani 1 1 d . . .
C10 C -0.2920(6) 0.58900(11) 0.98432(19) 0.0614(10) Uani 1 1 d . . .
H10 H -0.3850 0.5606 0.9726 0.074 Uiso 1 1 calc R . .
C11 C -0.1035(7) 0.59506(11) 0.94289(19) 0.0523(9) Uani 1 1 d . . .
C12 C 0.0083(7) 0.55825(11) 0.88681(18) 0.0531(9) Uani 1 1 d . . .
C13 C 0.1942(7) 0.57140(12) 0.8423(2) 0.0709(11) Uani 1 1 d . . .
H13 H 0.2514 0.6043 0.8467 0.085 Uiso 1 1 calc R . .
C14 C 0.2987(7) 0.53665(14) 0.7908(2) 0.0816(12) Uani 1 1 d . . .
H14 H 0.4251 0.5461 0.7610 0.098 Uiso 1 1 calc R . .
C15 C 0.2152(8) 0.48816(14) 0.7841(2) 0.0854(14) Uani 1 1 d . . .
H15 H 0.2845 0.4648 0.7491 0.102 Uiso 1 1 calc R . .
C16 C 0.0326(9) 0.47412(13) 0.8280(2) 0.0931(14) Uani 1 1 d . . .
H16 H -0.0223 0.4410 0.8235 0.112 Uiso 1 1 calc R . .
C17 C -0.0728(7) 0.50868(13) 0.8796(2) 0.0799(12) Uani 1 1 d . . .
H17 H -0.1985 0.4988 0.9096 0.096 Uiso 1 1 calc R . .
C18 C -0.0574(7) 0.69160(10) 0.77343(19) 0.0495(9) Uani 1 1 d . . .
C19 C -0.2330(6) 0.65785(11) 0.74609(19) 0.0592(10) Uani 1 1 d . . .
H19 H -0.3621 0.6546 0.7779 0.071 Uiso 1 1 calc R . .
C20 C -0.2153(8) 0.62903(12) 0.6711(2) 0.0796(12) Uani 1 1 d . . .
H20 H -0.3321 0.6060 0.6532 0.096 Uiso 1 1 calc R . .
C21 C -0.0272(9) 0.63408(14) 0.6230(2) 0.0834(13) Uani 1 1 d . . .
H21 H -0.0162 0.6143 0.5731 0.100 Uiso 1 1 calc R . .
C22 C 0.1447(7) 0.66828(13) 0.6484(2) 0.0745(11) Uani 1 1 d . . .
H22 H 0.2726 0.6718 0.6160 0.089 Uiso 1 1 calc R . .
C23 C 0.1261(6) 0.69748(11) 0.7227(2) 0.0629(10) Uani 1 1 d . . .
H23 H 0.2397 0.7216 0.7386 0.075 Uiso 1 1 calc R . .
C24 C 0.1926(6) 0.79438(11) 0.89437(17) 0.0495(9) Uani 1 1 d . . .
C25 C 0.4074(6) 0.81223(12) 0.92642(18) 0.0626(10) Uani 1 1 d . . .
H25 H 0.5239 0.7894 0.9454 0.075 Uiso 1 1 calc R . .
C26 C 0.4528(7) 0.86356(14) 0.93088(19) 0.0712(11) Uani 1 1 d . . .
H26 H 0.5990 0.8747 0.9534 0.085 Uiso 1 1 calc R . .
C27 C 0.2857(8) 0.89834(12) 0.9026(2) 0.0685(11) Uani 1 1 d . . .
C28 C 0.0729(7) 0.88042(12) 0.86931(19) 0.0706(11) Uani 1 1 d . . .
H28 H -0.0424 0.9033 0.8492 0.085 Uiso 1 1 calc R . .
C29 C 0.0256(6) 0.82904(11) 0.86486(17) 0.0606(10) Uani 1 1 d . . .
H29 H -0.1202 0.8179 0.8418 0.073 Uiso 1 1 calc R . .
C30 C 0.3386(7) 0.95480(11) 0.9090(2) 0.1129(17) Uani 1 1 d . . .
H30A H 0.4608 0.9606 0.9550 0.169 Uiso 1 1 calc R . .
H30B H 0.2016 0.9728 0.9222 0.169 Uiso 1 1 calc R . .
H30C H 0.3867 0.9666 0.8539 0.169 Uiso 1 1 calc R . .


_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 C18 1.420(3) . ?
N1 O1 1.447(3) . ?
N1 C1 1.487(3) . ?
O1 C3 1.444(3) . ?
O2 C11 1.381(3) . ?
O2 C3 1.432(3) . ?
C1 C24 1.506(3) . ?
C1 C2 1.536(3) . ?
C1 H1 0.9800 . ?
C2 C3 1.498(4) . ?
C2 H2A 0.9700 . ?
C2 H2B 0.9700 . ?
C3 C4 1.496(4) . ?
C4 C9 1.388(4) . ?
C4 C5 1.390(4) . ?
C5 C6 1.377(4) . ?
C5 H5 0.9300 . ?
C6 C7 1.379(4) . ?
C6 H6 0.9300 . ?
C7 C8 1.377(4) . ?
C7 H7 0.9300 . ?
C8 C9 1.392(4) . ?
C8 H8 0.9300 . ?
C9 C10 1.453(4) . ?
C10 C11 1.317(4) . ?
C10 H10 0.9300 . ?
C11 C12 1.481(4) . ?
C12 C13 1.367(4) . ?
C12 C17 1.391(4) . ?
C13 C14 1.381(4) . ?
C13 H13 0.9300 . ?
C14 C15 1.368(4) . ?
C14 H14 0.9300 . ?
C15 C16 1.352(5) . ?
C15 H15 0.9300 . ?
C16 C17 1.382(4) . ?
C16 H16 0.9300 . ?
C17 H17 0.9300 . ?
C18 C23 1.377(4) . ?
C18 C19 1.386(4) . ?
C19 C20 1.384(4) . ?
C19 H19 0.9300 . ?
C20 C21 1.372(5) . ?
C20 H20 0.9300 . ?
C21 C22 1.371(5) . ?
C21 H21 0.9300 . ?
C22 C23 1.381(4) . ?
C22 H22 0.9300 . ?
C23 H23 0.9300 . ?
C24 C25 1.374(4) . ?
C24 C29 1.375(4) . ?
C25 C26 1.381(4) . ?
C25 H25 0.9300 . ?
C26 C27 1.372(4) . ?
C26 H26 0.9300 . ?
C27 C28 1.371(4) . ?
C27 C30 1.523(4) . ?
C28 C29 1.384(3) . ?
C28 H28 0.9300 . ?
C29 H29 0.9300 . ?
C30 H30A 0.9600 . ?
C30 H30B 0.9600 . ?
C30 H30C 0.9600 . ?

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
C18 N1 O1 111.1(2) . . ?
C18 N1 C1 117.0(3) . . ?
O1 N1 C1 107.5(2) . . ?
C3 O1 N1 106.5(2) . . ?
C11 O2 C3 117.0(3) . . ?
N1 C1 C24 112.6(2) . . ?
N1 C1 C2 103.8(3) . . ?
C24 C1 C2 111.2(2) . . ?
N1 C1 H1 109.7 . . ?
C24 C1 H1 109.7 . . ?
C2 C1 H1 109.7 . . ?
C3 C2 C1 103.6(2) . . ?
C3 C2 H2A 111.0 . . ?
C1 C2 H2A 111.0 . . ?
C3 C2 H2B 111.0 . . ?
C1 C2 H2B 111.0 . . ?
H2A C2 H2B 109.0 . . ?
O2 C3 O1 109.1(2) . . ?
O2 C3 C4 112.1(2) . . ?
O1 C3 C4 106.5(3) . . ?
O2 C3 C2 105.6(3) . . ?
O1 C3 C2 102.3(2) . . ?
C4 C3 C2 120.5(3) . . ?
C9 C4 C5 120.1(3) . . ?
C9 C4 C3 116.8(3) . . ?
C5 C4 C3 123.1(3) . . ?
C6 C5 C4 119.9(3) . . ?
C6 C5 H5 120.0 . . ?
C4 C5 H5 120.0 . . ?
C5 C6 C7 120.3(3) . . ?
C5 C6 H6 119.9 . . ?
C7 C6 H6 119.9 . . ?
C8 C7 C6 120.1(4) . . ?
C8 C7 H7 120.0 . . ?
C6 C7 H7 120.0 . . ?
C7 C8 C9 120.4(3) . . ?
C7 C8 H8 119.8 . . ?
C9 C8 H8 119.8 . . ?
C4 C9 C8 119.1(3) . . ?
C4 C9 C10 118.3(3) . . ?
C8 C9 C10 122.4(3) . . ?
C11 C10 C9 120.7(3) . . ?
C11 C10 H10 119.6 . . ?
C9 C10 H10 119.6 . . ?
C10 C11 O2 120.9(3) . . ?
C10 C11 C12 128.3(3) . . ?
O2 C11 C12 110.6(3) . . ?
C13 C12 C17 118.3(3) . . ?
C13 C12 C11 121.6(3) . . ?
C17 C12 C11 120.1(3) . . ?
C12 C13 C14 121.1(3) . . ?
C12 C13 H13 119.4 . . ?
C14 C13 H13 119.4 . . ?
C15 C14 C13 119.7(4) . . ?
C15 C14 H14 120.2 . . ?
C13 C14 H14 120.2 . . ?
C16 C15 C14 120.3(4) . . ?
C16 C15 H15 119.8 . . ?
C14 C15 H15 119.8 . . ?
C15 C16 C17 120.3(4) . . ?
C15 C16 H16 119.8 . . ?
C17 C16 H16 119.8 . . ?
C16 C17 C12 120.2(4) . . ?
C16 C17 H17 119.9 . . ?
C12 C17 H17 119.9 . . ?
C23 C18 C19 118.9(3) . . ?
C23 C18 N1 119.8(3) . . ?
C19 C18 N1 120.9(3) . . ?
C20 C19 C18 119.6(3) . . ?
C20 C19 H19 120.2 . . ?
C18 C19 H19 120.2 . . ?
C21 C20 C19 120.6(4) . . ?
C21 C20 H20 119.7 . . ?
C19 C20 H20 119.7 . . ?
C22 C21 C20 120.1(4) . . ?
C22 C21 H21 119.9 . . ?
C20 C21 H21 119.9 . . ?
C21 C22 C23 119.4(4) . . ?
C21 C22 H22 120.3 . . ?
C23 C22 H22 120.3 . . ?
C18 C23 C22 121.2(3) . . ?
C18 C23 H23 119.4 . . ?
C22 C23 H23 119.4 . . ?
C25 C24 C29 118.1(3) . . ?
C25 C24 C1 119.5(3) . . ?
C29 C24 C1 122.2(3) . . ?
C24 C25 C26 121.0(3) . . ?
C24 C25 H25 119.5 . . ?
C26 C25 H25 119.5 . . ?
C27 C26 C25 121.1(3) . . ?
C27 C26 H26 119.5 . . ?
C25 C26 H26 119.5 . . ?
C28 C27 C26 117.8(3) . . ?
C28 C27 C30 122.0(4) . . ?
C26 C27 C30 120.3(4) . . ?
C27 C28 C29 121.5(3) . . ?
C27 C28 H28 119.2 . . ?
C29 C28 H28 119.2 . . ?
C24 C29 C28 120.4(3) . . ?
C24 C29 H29 119.8 . . ?
C28 C29 H29 119.8 . . ?
C27 C30 H30A 109.5 . . ?
C27 C30 H30B 109.5 . . ?
H30A C30 H30B 109.5 . . ?
C27 C30 H30C 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 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
C18 N1 O1 C3 103.7(2) . . . . ?
C1 N1 O1 C3 -25.4(2) . . . . ?
C18 N1 C1 C24 114.7(3) . . . . ?
O1 N1 C1 C24 -119.5(2) . . . . ?
C18 N1 C1 C2 -124.9(3) . . . . ?
O1 N1 C1 C2 0.9(3) . . . . ?
N1 C1 C2 C3 22.7(3) . . . . ?
C24 C1 C2 C3 144.0(3) . . . . ?
C11 O2 C3 O1 -74.4(3) . . . . ?
C11 O2 C3 C4 43.3(3) . . . . ?
C11 O2 C3 C2 176.3(2) . . . . ?
N1 O1 C3 O2 -72.0(3) . . . . ?
N1 O1 C3 C4 166.8(2) . . . . ?
N1 O1 C3 C2 39.5(3) . . . . ?
C1 C2 C3 O2 76.2(3) . . . . ?
C1 C2 C3 O1 -37.9(3) . . . . ?
C1 C2 C3 C4 -155.7(3) . . . . ?
O2 C3 C4 C9 -34.7(4) . . . . ?
O1 C3 C4 C9 84.5(3) . . . . ?
C2 C3 C4 C9 -159.9(3) . . . . ?
O2 C3 C4 C5 146.4(3) . . . . ?
O1 C3 C4 C5 -94.4(3) . . . . ?
C2 C3 C4 C5 21.2(5) . . . . ?
C9 C4 C5 C6 -1.1(5) . . . . ?
C3 C4 C5 C6 177.7(3) . . . . ?
C4 C5 C6 C7 -1.2(5) . . . . ?
C5 C6 C7 C8 1.9(5) . . . . ?
C6 C7 C8 C9 -0.1(5) . . . . ?
C5 C4 C9 C8 2.8(5) . . . . ?
C3 C4 C9 C8 -176.1(3) . . . . ?
C5 C4 C9 C10 -172.9(3) . . . . ?
C3 C4 C9 C10 8.2(4) . . . . ?
C7 C8 C9 C4 -2.2(5) . . . . ?
C7 C8 C9 C10 173.4(3) . . . . ?
C4 C9 C10 C11 12.6(5) . . . . ?
C8 C9 C10 C11 -163.0(3) . . . . ?
C9 C10 C11 O2 -4.6(5) . . . . ?
C9 C10 C11 C12 169.9(3) . . . . ?
C3 O2 C11 C10 -24.8(4) . . . . ?
C3 O2 C11 C12 159.9(2) . . . . ?
C10 C11 C12 C13 174.7(4) . . . . ?
O2 C11 C12 C13 -10.3(4) . . . . ?
C10 C11 C12 C17 -6.4(5) . . . . ?
O2 C11 C12 C17 168.6(3) . . . . ?
C17 C12 C13 C14 0.4(5) . . . . ?
C11 C12 C13 C14 179.3(3) . . . . ?
C12 C13 C14 C15 0.0(6) . . . . ?
C13 C14 C15 C16 -0.5(6) . . . . ?
C14 C15 C16 C17 0.6(7) . . . . ?
C15 C16 C17 C12 -0.1(6) . . . . ?
C13 C12 C17 C16 -0.4(5) . . . . ?
C11 C12 C17 C16 -179.4(3) . . . . ?
O1 N1 C18 C23 -161.9(3) . . . . ?
C1 N1 C18 C23 -38.0(4) . . . . ?
O1 N1 C18 C19 25.6(4) . . . . ?
C1 N1 C18 C19 149.5(3) . . . . ?
C23 C18 C19 C20 3.2(5) . . . . ?
N1 C18 C19 C20 175.7(3) . . . . ?
C18 C19 C20 C21 -0.9(5) . . . . ?
C19 C20 C21 C22 -0.6(6) . . . . ?
C20 C21 C22 C23 -0.1(6) . . . . ?
C19 C18 C23 C22 -4.0(5) . . . . ?
N1 C18 C23 C22 -176.6(3) . . . . ?
C21 C22 C23 C18 2.4(5) . . . . ?
N1 C1 C24 C25 -168.4(3) . . . . ?
C2 C1 C24 C25 75.5(4) . . . . ?
N1 C1 C24 C29 16.9(4) . . . . ?
C2 C1 C24 C29 -99.2(3) . . . . ?
C29 C24 C25 C26 1.5(5) . . . . ?
C1 C24 C25 C26 -173.4(3) . . . . ?
C24 C25 C26 C27 -0.7(5) . . . . ?
C25 C26 C27 C28 -0.4(5) . . . . ?
C25 C26 C27 C30 179.4(3) . . . . ?
C26 C27 C28 C29 0.7(5) . . . . ?
C30 C27 C28 C29 -179.1(3) . . . . ?
C25 C24 C29 C28 -1.3(5) . . . . ?
C1 C24 C29 C28 173.5(3) . . . . ?
C27 C28 C29 C24 0.2(5) . . . . ?

_diffrn_measured_fraction_theta_max 0.998
_diffrn_reflns_theta_full        25.02
_diffrn_measured_fraction_theta_full 0.998
_refine_diff_density_max         0.173
_refine_diff_density_min         -0.148
_refine_diff_density_rms         0.036
