# Supplementary Information (SI) for Chemical Science.
# This journal is © The Royal Society of Chemistry 2025

####################################################################### 
# 
# 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_kk
_database_code_depnum_ccdc_archive 'CCDC 2383473'
loop_
_audit_author_name
_audit_author_address
'Takehisa Maekawa'
;Institute of Chemistry, Academia Sinica, Taiwan
Taiwan
;
_audit_update_record             
;
2024-09-12 deposited with the CCDC.	2025-01-07 downloaded from the CCDC.
;
# start Validation Reply Form
_vrf_PLAT911_kk                  
;
PROBLEM: Missing FCF Refl Between Thmin & STh/L=    0.595          2 Report
RESPONSE: The dataset used for the analysis contains a total of 3185 indipendent reflections with a completeness of 0.98 (98%). The missing reflections flagged by PLAT911_ALERT_3_C amount to two reflections, which represent a very small portion of the total data. The impact of these missing reflections on the structure analysis is considered minimal and do not affect the reliability of the final structure.
;
# Added during the CSD deposition process: Thursday 12 September 2024 06:44 AM
# end Validation Reply Form


_audit_creation_method           SHELXL-2016/6
_shelx_SHELXL_version_number     2016/6
_chemical_name_systematic        benzo[c]phenanthro[9,10-a]phenanthridine
_chemical_name_common            ?
_chemical_melting_point          n/a
_chemical_formula_moiety         ?
_chemical_formula_sum            'C29 H17 N'
_chemical_formula_weight         379.43

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'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/n'
_space_group_name_Hall           '-P 2yn'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

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

_cell_length_a                   10.4701(3)
_cell_length_b                   8.8984(2)
_cell_length_c                   19.6220(5)
_cell_angle_alpha                90
_cell_angle_beta                 99.531(3)
_cell_angle_gamma                90
_cell_volume                     1802.89(8)
_cell_formula_units_Z            4
_cell_measurement_temperature    123(2)

_cell_measurement_reflns_used    10255

_cell_measurement_theta_min      3.0000

_cell_measurement_theta_max      30.3400


_exptl_crystal_description       block

_exptl_crystal_colour            yellow

_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.398
_exptl_crystal_F_000             792
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.1

_exptl_crystal_size_mid          0.1

_exptl_crystal_size_min          0.1

_exptl_absorpt_coefficient_mu    0.081
_shelx_estimated_absorpt_T_min   0.992
_shelx_estimated_absorpt_T_max   0.992
_exptl_absorpt_correction_type   multi-scan

_exptl_absorpt_correction_T_min  0.63995

_exptl_absorpt_correction_T_max  1.00000

_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.38.41 (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;

_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      123(2)

_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'fine-focus sealed X-ray tube'
_diffrn_measurement_device_type  
'dtrek-CrysAlisPro-abstract goniometer imported rigaku-d*trek images'

_diffrn_measurement_method       'ω scans'

_diffrn_detector_area_resol_mean ?

_diffrn_reflns_number            19052
_diffrn_reflns_av_unetI/netI     0.0208
_diffrn_reflns_av_R_equivalents  0.0286
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_theta_min         2.519
_diffrn_reflns_theta_max         25.000
_diffrn_reflns_theta_full        25.000
_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
_reflns_number_total             3183
_reflns_number_gt                2767
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.

 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       'CrysAlisPro 1.171.38.41 (Rigaku OD, 2015)'
_computing_cell_refinement       'CrysAlisPro 1.171.38.41 (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.38.41 (Rigaku OD, 2015)'
_computing_structure_solution    SIR97

_computing_structure_refinement  'SHELXL-2016/6 (Sheldrick, 2016)'
_computing_molecular_graphics    'Yadokari-XG 2009 (Wakita Nemoto et al., 2009)'

_computing_publication_material  
;Yadokari-XG 2009 (Wakita,Nemoto et al., 2009)
;

_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0430P)²+0.4914P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr

_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         3183
_refine_ls_number_parameters     271
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0382
_refine_ls_R_factor_gt           0.0321
_refine_ls_wR_factor_ref         0.0843
_refine_ls_wR_factor_gt          0.0809
_refine_ls_goodness_of_fit_ref   1.049
_refine_ls_restrained_S_all      1.049
_refine_ls_shift/su_max          0.001
_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_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
N1 N 0.06628(9) 0.82625(11) 0.50844(5) 0.0208(2) Uani 1 1 d . . . . .
C1 C 0.14687(11) 0.90462(13) 0.47867(6) 0.0208(3) Uani 1 1 d . . . . .
H1 H 0.115758 0.994294 0.455371 0.025 Uiso 1 1 calc R U . . .
C2 C 0.27796(11) 0.86431(13) 0.47892(6) 0.0185(3) Uani 1 1 d . . . . .
C3 C 0.35362(12) 0.93591(13) 0.43513(6) 0.0218(3) Uani 1 1 d . . . . .
H2 H 0.320559 1.021748 0.409277 0.026 Uiso 1 1 calc R U . . .
C4 C 0.47380(12) 0.88279(14) 0.42968(6) 0.0241(3) Uani 1 1 d . . . . .
H3 H 0.524368 0.931381 0.400226 0.029 Uiso 1 1 calc R U . . .
C5 C 0.52218(12) 0.75560(14) 0.46799(6) 0.0227(3) Uani 1 1 d . . . . .
H4 H 0.604172 0.715926 0.462641 0.027 Uiso 1 1 calc R U . . .
C6 C 0.45291(11) 0.68798(13) 0.51292(6) 0.0188(3) Uani 1 1 d . . . . .
H5 H 0.488509 0.603734 0.539167 0.023 Uiso 1 1 calc R U . . .
C7 C 0.32888(11) 0.74204(13) 0.52076(6) 0.0166(3) Uani 1 1 d . . . . .
C8 C 0.24557(11) 0.66940(12) 0.56276(6) 0.0165(2) Uani 1 1 d . . . . .
C9 C 0.28737(11) 0.55146(12) 0.61312(6) 0.0161(2) Uani 1 1 d . . . . .
C10 C 0.41297(11) 0.55358(13) 0.65902(6) 0.0171(3) Uani 1 1 d . . . . .
C11 C 0.48842(11) 0.68560(14) 0.66823(6) 0.0199(3) Uani 1 1 d . . . . .
H6 H 0.461475 0.771045 0.640515 0.024 Uiso 1 1 calc R U . . .
C12 C 0.59973(11) 0.69399(14) 0.71614(6) 0.0231(3) Uani 1 1 d . . . . .
H7 H 0.649361 0.783884 0.720801 0.028 Uiso 1 1 calc R U . . .
C13 C 0.63981(12) 0.57057(15) 0.75791(6) 0.0263(3) Uani 1 1 d . . . . .
H8 H 0.717871 0.575247 0.790348 0.032 Uiso 1 1 calc R U . . .
C14 C 0.56611(11) 0.44208(15) 0.75205(6) 0.0242(3) Uani 1 1 d . . . . .
H9 H 0.592951 0.359382 0.781589 0.029 Uiso 1 1 calc R U . . .
C15 C 0.45153(11) 0.43008(13) 0.70321(6) 0.0187(3) Uani 1 1 d . . . . .
C16 C 0.37245(11) 0.29431(13) 0.69629(6) 0.0188(3) Uani 1 1 d . . . . .
C17 C 0.41587(12) 0.15746(14) 0.72793(6) 0.0217(3) Uani 1 1 d . . . . .
H10 H 0.496011 0.154536 0.758754 0.026 Uiso 1 1 calc R U . . .
C18 C 0.34438(12) 0.02800(14) 0.71500(6) 0.0230(3) Uani 1 1 d . . . . .
H11 H 0.374199 -0.062670 0.737806 0.028 Uiso 1 1 calc R U . . .
C19 C 0.22831(12) 0.02934(14) 0.66854(6) 0.0223(3) Uani 1 1 d . . . . .
H12 H 0.181869 -0.061481 0.657336 0.027 Uiso 1 1 calc R U . . .
C20 C 0.18109(12) 0.16287(13) 0.63891(6) 0.0203(3) Uani 1 1 d . . . . .
H13 H 0.101816 0.163205 0.607330 0.024 Uiso 1 1 calc R U . . .
C21 C 0.24836(11) 0.29882(13) 0.65465(6) 0.0174(3) Uani 1 1 d . . . . .
C22 C 0.19848(11) 0.44106(13) 0.62353(6) 0.0167(3) Uani 1 1 d . . . . .
C23 C 0.06025(11) 0.47472(13) 0.60776(6) 0.0172(3) Uani 1 1 d . . . . .
C24 C -0.03428(11) 0.38943(13) 0.63445(6) 0.0195(3) Uani 1 1 d . . . . .
H14 H -0.009288 0.298800 0.658610 0.023 Uiso 1 1 calc R U . . .
C25 C -0.16125(11) 0.43459(14) 0.62625(6) 0.0221(3) Uani 1 1 d . . . . .
H15 H -0.222548 0.375750 0.645153 0.026 Uiso 1 1 calc R U . . .
C26 C -0.20091(11) 0.56644(14) 0.59031(6) 0.0236(3) Uani 1 1 d . . . . .
H16 H -0.289290 0.595993 0.583773 0.028 Uiso 1 1 calc R U . . .
C27 C -0.11173(11) 0.65305(14) 0.56449(6) 0.0214(3) Uani 1 1 d . . . . .
H17 H -0.138975 0.742547 0.539925 0.026 Uiso 1 1 calc R U . . .
C28 C 0.01969(11) 0.61120(13) 0.57388(6) 0.0174(3) Uani 1 1 d . . . . .
C29 C 0.11406(11) 0.70412(13) 0.54778(6) 0.0173(3) Uani 1 1 d . . . . .


_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 C1 1.3049(16) . ?
N1 C29 1.3782(15) . ?
C1 C2 1.4179(17) . ?
C1 H1 0.9500 . ?
C2 C3 1.4131(17) . ?
C2 C7 1.4133(16) . ?
C3 C4 1.3648(18) . ?
C3 H2 0.9500 . ?
C4 C5 1.4059(18) . ?
C4 H3 0.9500 . ?
C5 C6 1.3701(16) . ?
C5 H4 0.9500 . ?
C6 C7 1.4169(16) . ?
C6 H5 0.9500 . ?
C7 C8 1.4477(16) . ?
C8 C29 1.3942(16) . ?
C8 C9 1.4582(16) . ?
C9 C22 1.3914(16) . ?
C9 C10 1.4658(16) . ?
C10 C11 1.4105(17) . ?
C10 C15 1.4165(16) . ?
C11 C12 1.3729(17) . ?
C11 H6 0.9500 . ?
C12 C13 1.3929(18) . ?
C12 H7 0.9500 . ?
C13 C14 1.3735(18) . ?
C13 H8 0.9500 . ?
C14 C15 1.4100(16) . ?
C14 H9 0.9500 . ?
C15 C16 1.4582(17) . ?
C16 C17 1.4077(17) . ?
C16 C21 1.4163(16) . ?
C17 C18 1.3743(18) . ?
C17 H10 0.9500 . ?
C18 C19 1.3933(17) . ?
C18 H11 0.9500 . ?
C19 C20 1.3781(17) . ?
C19 H12 0.9500 . ?
C20 C21 1.4082(17) . ?
C20 H13 0.9500 . ?
C21 C22 1.4635(16) . ?
C22 C23 1.4600(15) . ?
C23 C24 1.4148(16) . ?
C23 C28 1.4154(16) . ?
C24 C25 1.3726(17) . ?
C24 H14 0.9500 . ?
C25 C26 1.3962(17) . ?
C25 H15 0.9500 . ?
C26 C27 1.3708(17) . ?
C26 H16 0.9500 . ?
C27 C28 1.4078(16) . ?
C27 H17 0.9500 . ?
C28 C29 1.4456(16) . ?

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
C1 N1 C29 118.07(10) . . ?
N1 C1 C2 124.10(11) . . ?
N1 C1 H1 117.9 . . ?
C2 C1 H1 117.9 . . ?
C3 C2 C7 120.32(11) . . ?
C3 C2 C1 121.58(11) . . ?
C7 C2 C1 117.94(11) . . ?
C4 C3 C2 120.56(11) . . ?
C4 C3 H2 119.7 . . ?
C2 C3 H2 119.7 . . ?
C3 C4 C5 119.47(11) . . ?
C3 C4 H3 120.3 . . ?
C5 C4 H3 120.3 . . ?
C6 C5 C4 121.03(11) . . ?
C6 C5 H4 119.5 . . ?
C4 C5 H4 119.5 . . ?
C5 C6 C7 120.87(11) . . ?
C5 C6 H5 119.6 . . ?
C7 C6 H5 119.6 . . ?
C2 C7 C6 117.56(10) . . ?
C2 C7 C8 118.01(10) . . ?
C6 C7 C8 124.03(10) . . ?
C29 C8 C7 116.63(10) . . ?
C29 C8 C9 118.52(10) . . ?
C7 C8 C9 124.44(10) . . ?
C22 C9 C8 118.33(10) . . ?
C22 C9 C10 118.21(10) . . ?
C8 C9 C10 123.04(10) . . ?
C11 C10 C15 118.10(10) . . ?
C11 C10 C9 121.05(10) . . ?
C15 C10 C9 120.13(10) . . ?
C12 C11 C10 121.80(11) . . ?
C12 C11 H6 119.1 . . ?
C10 C11 H6 119.1 . . ?
C11 C12 C13 119.93(12) . . ?
C11 C12 H7 120.0 . . ?
C13 C12 H7 120.0 . . ?
C14 C13 C12 119.78(11) . . ?
C14 C13 H8 120.1 . . ?
C12 C13 H8 120.1 . . ?
C13 C14 C15 121.53(11) . . ?
C13 C14 H9 119.2 . . ?
C15 C14 H9 119.2 . . ?
C14 C15 C10 118.78(11) . . ?
C14 C15 C16 122.15(11) . . ?
C10 C15 C16 119.07(10) . . ?
C17 C16 C21 118.52(11) . . ?
C17 C16 C15 122.59(10) . . ?
C21 C16 C15 118.87(10) . . ?
C18 C17 C16 121.16(11) . . ?
C18 C17 H10 119.4 . . ?
C16 C17 H10 119.4 . . ?
C17 C18 C19 120.20(11) . . ?
C17 C18 H11 119.9 . . ?
C19 C18 H11 119.9 . . ?
C20 C19 C18 119.77(11) . . ?
C20 C19 H12 120.1 . . ?
C18 C19 H12 120.1 . . ?
C19 C20 C21 121.11(11) . . ?
C19 C20 H13 119.4 . . ?
C21 C20 H13 119.4 . . ?
C20 C21 C16 118.68(10) . . ?
C20 C21 C22 121.37(10) . . ?
C16 C21 C22 119.68(10) . . ?
C9 C22 C23 119.19(10) . . ?
C9 C22 C21 118.08(10) . . ?
C23 C22 C21 122.58(10) . . ?
C24 C23 C28 117.40(10) . . ?
C24 C23 C22 122.76(10) . . ?
C28 C23 C22 119.04(10) . . ?
C25 C24 C23 121.53(11) . . ?
C25 C24 H14 119.2 . . ?
C23 C24 H14 119.2 . . ?
C24 C25 C26 120.43(11) . . ?
C24 C25 H15 119.8 . . ?
C26 C25 H15 119.8 . . ?
C27 C26 C25 119.68(11) . . ?
C27 C26 H16 120.2 . . ?
C25 C26 H16 120.2 . . ?
C26 C27 C28 120.91(11) . . ?
C26 C27 H17 119.5 . . ?
C28 C27 H17 119.5 . . ?
C27 C28 C23 119.95(11) . . ?
C27 C28 C29 120.85(10) . . ?
C23 C28 C29 119.18(10) . . ?
N1 C29 C8 123.16(10) . . ?
N1 C29 C28 116.33(10) . . ?
C8 C29 C28 120.50(10) . . ?

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
C29 N1 C1 C2 6.07(17) . . . . ?
N1 C1 C2 C3 167.48(11) . . . . ?
N1 C1 C2 C7 -7.93(17) . . . . ?
C7 C2 C3 C4 3.76(17) . . . . ?
C1 C2 C3 C4 -171.54(11) . . . . ?
C2 C3 C4 C5 0.09(18) . . . . ?
C3 C4 C5 C6 -2.80(18) . . . . ?
C4 C5 C6 C7 1.64(17) . . . . ?
C3 C2 C7 C6 -4.80(16) . . . . ?
C1 C2 C7 C6 170.67(10) . . . . ?
C3 C2 C7 C8 -177.81(10) . . . . ?
C1 C2 C7 C8 -2.34(15) . . . . ?
C5 C6 C7 C2 2.15(16) . . . . ?
C5 C6 C7 C8 174.69(11) . . . . ?
C2 C7 C8 C29 13.33(15) . . . . ?
C6 C7 C8 C29 -159.18(11) . . . . ?
C2 C7 C8 C9 -174.11(10) . . . . ?
C6 C7 C8 C9 13.37(17) . . . . ?
C29 C8 C9 C22 25.08(15) . . . . ?
C7 C8 C9 C22 -147.34(11) . . . . ?
C29 C8 C9 C10 -147.41(11) . . . . ?
C7 C8 C9 C10 40.17(16) . . . . ?
C22 C9 C10 C11 -157.90(11) . . . . ?
C8 C9 C10 C11 14.59(16) . . . . ?
C22 C9 C10 C15 12.15(15) . . . . ?
C8 C9 C10 C15 -175.35(10) . . . . ?
C15 C10 C11 C12 3.04(16) . . . . ?
C9 C10 C11 C12 173.29(10) . . . . ?
C10 C11 C12 C13 -0.90(17) . . . . ?
C11 C12 C13 C14 -1.49(18) . . . . ?
C12 C13 C14 C15 1.66(18) . . . . ?
C13 C14 C15 C10 0.54(17) . . . . ?
C13 C14 C15 C16 179.86(11) . . . . ?
C11 C10 C15 C14 -2.81(16) . . . . ?
C9 C10 C15 C14 -173.16(10) . . . . ?
C11 C10 C15 C16 177.84(10) . . . . ?
C9 C10 C15 C16 7.50(16) . . . . ?
C14 C15 C16 C17 -12.21(17) . . . . ?
C10 C15 C16 C17 167.12(10) . . . . ?
C14 C15 C16 C21 169.51(10) . . . . ?
C10 C15 C16 C21 -11.17(16) . . . . ?
C21 C16 C17 C18 4.71(17) . . . . ?
C15 C16 C17 C18 -173.57(11) . . . . ?
C16 C17 C18 C19 1.69(17) . . . . ?
C17 C18 C19 C20 -4.16(17) . . . . ?
C18 C19 C20 C21 0.11(17) . . . . ?
C19 C20 C21 C16 6.27(17) . . . . ?
C19 C20 C21 C22 -179.78(11) . . . . ?
C17 C16 C21 C20 -8.54(16) . . . . ?
C15 C16 C21 C20 169.81(10) . . . . ?
C17 C16 C21 C22 177.40(10) . . . . ?
C15 C16 C21 C22 -4.24(15) . . . . ?
C8 C9 C22 C23 -24.63(15) . . . . ?
C10 C9 C22 C23 148.23(10) . . . . ?
C8 C9 C22 C21 159.64(10) . . . . ?
C10 C9 C22 C21 -27.50(15) . . . . ?
C20 C21 C22 C9 -149.91(11) . . . . ?
C16 C21 C22 C9 23.98(15) . . . . ?
C20 C21 C22 C23 34.51(16) . . . . ?
C16 C21 C22 C23 -151.60(10) . . . . ?
C9 C22 C23 C24 -161.23(11) . . . . ?
C21 C22 C23 C24 14.29(17) . . . . ?
C9 C22 C23 C28 8.23(16) . . . . ?
C21 C22 C23 C28 -176.25(10) . . . . ?
C28 C23 C24 C25 1.81(16) . . . . ?
C22 C23 C24 C25 171.43(11) . . . . ?
C23 C24 C25 C26 0.71(18) . . . . ?
C24 C25 C26 C27 -1.55(18) . . . . ?
C25 C26 C27 C28 -0.20(18) . . . . ?
C26 C27 C28 C23 2.78(17) . . . . ?
C26 C27 C28 C29 -178.80(11) . . . . ?
C24 C23 C28 C27 -3.50(16) . . . . ?
C22 C23 C28 C27 -173.52(10) . . . . ?
C24 C23 C28 C29 178.05(10) . . . . ?
C22 C23 C28 C29 8.03(15) . . . . ?
C1 N1 C29 C8 6.52(16) . . . . ?
C1 N1 C29 C28 -173.74(10) . . . . ?
C7 C8 C29 N1 -16.06(16) . . . . ?
C9 C8 C29 N1 170.93(10) . . . . ?
C7 C8 C29 C28 164.21(10) . . . . ?
C9 C8 C29 C28 -8.80(16) . . . . ?
C27 C28 C29 N1 -5.71(16) . . . . ?
C23 C28 C29 N1 172.72(10) . . . . ?
C27 C28 C29 C8 174.03(11) . . . . ?
C23 C28 C29 C8 -7.54(16) . . . . ?

_refine_diff_density_max         0.146
_refine_diff_density_min         -0.182
_refine_diff_density_rms         0.036


_diffrn_radiation_source         ?
_diffrn_radiation_monochromator  graphite
_chemical_absolute_configuration rm
_exptl_crystal_recrystallization_method 
'Re-crystallisation from solvent: toluene'
