# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2014

#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_1a

_audit_block_code                cbl1304
_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 11-(4-tert-butylphenyl)dipyrido[3,2-a:2',3'-c]phenazine 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C28 H22 N4, C H Cl3'
_chemical_formula_sum            'C29 H23 Cl3 N4'
_chemical_formula_weight         533.88

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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'
Cl Cl 0.3639 0.7018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 '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'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_int_tables_number      2

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

_cell_length_a                   5.9069(2)
_cell_length_b                   10.5275(4)
_cell_length_c                   20.8395(10)
_cell_angle_alpha                84.746(4)
_cell_angle_beta                 82.237(3)
_cell_angle_gamma                77.711(3)
_cell_volume                     1251.96(9)
_cell_formula_units_Z            2
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    4774
_cell_measurement_theta_min      4.2878
_cell_measurement_theta_max      73.9499

_exptl_crystal_description       needle
_exptl_crystal_colour            yellow
_exptl_crystal_size_max          1.04
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.04
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.416
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             552
_exptl_absorpt_coefficient_mu    3.520
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.1208
_exptl_absorpt_correction_T_max  0.8720
_exptl_absorpt_process_details   
;
CrysAlisPro, Agilent Technologies, Version 1.171.36.20
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_preparation       
;
Crystals were grown by slow diffusion of petroleum into a 
chloroform solution at room temperature.
;

_diffrn_crystal_treatment        
; 
Crystal was attached with Paratone N oil to a 0.3 mm CryoLoop supported 
in a copper mounting pin, then quenched in a cold nitrogen gas from a gas
stream from an Oxford Cryosystems Cryostream.
;

_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     1.54184
_diffrn_radiation_type           CuK\a
_diffrn_radiation_source         'SuperNova (Cu) X-ray Source'
_diffrn_radiation_monochromator  mirror
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, Atlas'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean 5.1725
_diffrn_standards_number         0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            8447
_diffrn_reflns_av_R_equivalents  0.0262
_diffrn_reflns_av_sigmaI/netI    0.0330
_diffrn_reflns_limit_h_min       -7
_diffrn_reflns_limit_h_max       5
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_theta_min         4.29
_diffrn_reflns_theta_max         74.12
_reflns_number_total             4900
_reflns_number_gt                4243
_reflns_threshold_expression     >2sigma(I)
_diffrn_measured_fraction_theta_max 0.959
_diffrn_reflns_theta_full        67.00
_diffrn_measured_fraction_theta_full 0.998

_computing_data_collection       'CrysAlisPro (Agilent, V 1.171.36.28)'
_computing_cell_refinement       'CrysAlisPro (Agilent, V 1.171.36.28)'
_computing_data_reduction        'CrysAlisPro (Agilent, V 1.171.36.28)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'Mercury (CCDC, 2013)'
_computing_publication_material  'enCIFer (CCDC, 2011)'

_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)+(0.0602P)²+0.6288P] where P=(Fo²+2Fc²)/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         4900
_refine_ls_number_parameters     328
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0470
_refine_ls_R_factor_gt           0.0403
_refine_ls_wR_factor_ref         0.1145
_refine_ls_wR_factor_gt          0.1089
_refine_ls_goodness_of_fit_ref   1.036
_refine_ls_restrained_S_all      1.036
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_diff_density_max         0.364
_refine_diff_density_min         -0.389
_refine_diff_density_rms         0.062

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
Cl91 Cl 0.75606(9) 0.42943(5) 0.33497(3) 0.03221(14) Uani 1 1 d . . .
Cl92 Cl 0.38571(10) 0.29652(6) 0.32085(3) 0.04143(16) Uani 1 1 d . . .
Cl93 Cl 0.86558(10) 0.15374(5) 0.31504(3) 0.03591(15) Uani 1 1 d . . .
N1 N 0.6256(3) 0.23193(15) 0.15825(7) 0.0199(3) Uani 1 1 d . . .
N2 N 0.9285(3) 0.39523(15) 0.15964(7) 0.0199(3) Uani 1 1 d . . .
N3 N 1.2577(3) 0.29788(15) -0.05918(7) 0.0175(3) Uani 1 1 d . . .
N4 N 0.9102(3) 0.15173(15) -0.06505(7) 0.0174(3) Uani 1 1 d . . .
C1 C 0.6059(3) 0.10696(18) 0.04727(9) 0.0196(4) Uani 1 1 d . . .
H1 H 0.5995 0.0641 0.0096 0.024 Uiso 1 1 calc R . .
C2 C 0.4579(3) 0.09017(18) 0.10259(9) 0.0210(4) Uani 1 1 d . . .
H2 H 0.3473 0.0361 0.1040 0.025 Uiso 1 1 calc R . .
C3 C 0.4746(3) 0.15510(19) 0.15701(9) 0.0208(4) Uani 1 1 d . . .
H3 H 0.3718 0.1435 0.1953 0.025 Uiso 1 1 calc R . .
C4 C 1.0815(3) 0.47070(18) 0.16087(9) 0.0216(4) Uani 1 1 d . . .
H4 H 1.0774 0.5130 0.1995 0.026 Uiso 1 1 calc R . .
C5 C 1.2483(3) 0.49175(18) 0.10872(9) 0.0209(4) Uani 1 1 d . . .
H5 H 1.3549 0.5462 0.1120 0.025 Uiso 1 1 calc R . .
C6 C 1.2534(3) 0.43129(18) 0.05261(9) 0.0191(4) Uani 1 1 d . . .
H6 H 1.3633 0.4442 0.0162 0.023 Uiso 1 1 calc R . .
C7 C 1.0955(3) 0.35058(17) 0.04956(8) 0.0165(3) Uani 1 1 d . . .
C8 C 0.9355(3) 0.33502(17) 0.10451(8) 0.0165(3) Uani 1 1 d . . .
C9 C 0.7697(3) 0.24877(17) 0.10365(8) 0.0166(3) Uani 1 1 d . . .
C10 C 0.7666(3) 0.18768(17) 0.04667(9) 0.0171(4) Uani 1 1 d . . .
C11 C 0.9264(3) 0.20719(17) -0.01155(8) 0.0166(4) Uani 1 1 d . . .
C12 C 1.0973(3) 0.28423(17) -0.00929(8) 0.0159(3) Uani 1 1 d . . .
C13 C 1.2457(3) 0.23956(17) -0.11372(8) 0.0174(4) Uani 1 1 d . . .
C14 C 1.0664(3) 0.16907(17) -0.11714(9) 0.0170(4) Uani 1 1 d . . .
C15 C 1.0554(3) 0.11579(18) -0.17659(9) 0.0204(4) Uani 1 1 d . . .
H15 H 0.9349 0.0706 -0.1801 0.024 Uiso 1 1 calc R . .
C16 C 1.2170(3) 0.12918(18) -0.22863(9) 0.0201(4) Uani 1 1 d . . .
H16 H 1.2055 0.0941 -0.2682 0.024 Uiso 1 1 calc R . .
C17 C 1.4032(3) 0.19463(17) -0.22520(9) 0.0181(4) Uani 1 1 d . . .
C18 C 1.4137(3) 0.24836(17) -0.16829(9) 0.0184(4) Uani 1 1 d . . .
H18 H 1.5364 0.2924 -0.1655 0.022 Uiso 1 1 calc R . .
C19 C 1.5795(3) 0.20349(18) -0.28217(8) 0.0175(4) Uani 1 1 d . . .
C20 C 1.6858(3) 0.31126(18) -0.29467(9) 0.0198(4) Uani 1 1 d . . .
H20 H 1.6455 0.3794 -0.2657 0.024 Uiso 1 1 calc R . .
C21 C 1.8489(3) 0.32085(18) -0.34847(9) 0.0203(4) Uani 1 1 d . . .
H21 H 1.9176 0.3955 -0.3556 0.024 Uiso 1 1 calc R . .
C22 C 1.9144(3) 0.22305(18) -0.39234(8) 0.0179(4) Uani 1 1 d . . .
C23 C 1.8088(3) 0.11472(18) -0.37944(9) 0.0201(4) Uani 1 1 d . . .
H23 H 1.8501 0.0463 -0.4082 0.024 Uiso 1 1 calc R . .
C24 C 1.6455(3) 0.10474(18) -0.32565(9) 0.0205(4) Uani 1 1 d . . .
H24 H 1.5775 0.0298 -0.3183 0.025 Uiso 1 1 calc R . .
C25 C 2.0804(3) 0.23560(18) -0.45473(9) 0.0201(4) Uani 1 1 d . . .
C26 C 2.2173(4) 0.3436(2) -0.45293(10) 0.0275(4) Uani 1 1 d . . .
H26A H 2.1080 0.4271 -0.4473 0.041 Uiso 1 1 calc R . .
H26B H 2.3201 0.3489 -0.4937 0.041 Uiso 1 1 calc R . .
H26C H 2.3113 0.3237 -0.4166 0.041 Uiso 1 1 calc R . .
C27 C 1.9329(4) 0.2674(2) -0.51169(9) 0.0270(4) Uani 1 1 d . . .
H27A H 1.8494 0.1972 -0.5139 0.041 Uiso 1 1 calc R . .
H27B H 2.0351 0.2760 -0.5523 0.041 Uiso 1 1 calc R . .
H27C H 1.8201 0.3495 -0.5052 0.041 Uiso 1 1 calc R . .
C28 C 2.2581(4) 0.1073(2) -0.46562(10) 0.0268(4) Uani 1 1 d . . .
H28A H 2.3492 0.0850 -0.4287 0.040 Uiso 1 1 calc R . .
H28B H 2.3630 0.1176 -0.5055 0.040 Uiso 1 1 calc R . .
H28C H 2.1753 0.0375 -0.4695 0.040 Uiso 1 1 calc R . .
C91 C 0.6805(3) 0.30465(19) 0.29653(9) 0.0222(4) Uani 1 1 d . . .
H91 H 0.7018 0.3247 0.2485 0.027 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
Cl91 C91 1.7623(19) . ?
Cl92 C91 1.764(2) . ?
Cl93 C91 1.769(2) . ?
N1 C3 1.330(2) . ?
N1 C9 1.348(2) . ?
N2 C4 1.328(2) . ?
N2 C8 1.354(2) . ?
N3 C12 1.328(2) . ?
N3 C13 1.357(2) . ?
N4 C11 1.329(2) . ?
N4 C14 1.352(2) . ?
C1 C2 1.372(3) . ?
C1 C10 1.400(2) . ?
C1 H1 0.9500 . ?
C2 C3 1.401(3) . ?
C2 H2 0.9500 . ?
C3 H3 0.9500 . ?
C4 C5 1.401(3) . ?
C4 H4 0.9500 . ?
C5 C6 1.375(3) . ?
C5 H5 0.9500 . ?
C6 C7 1.400(2) . ?
C6 H6 0.9500 . ?
C7 C8 1.404(2) . ?
C7 C12 1.464(2) . ?
C8 C9 1.473(2) . ?
C9 C10 1.405(2) . ?
C10 C11 1.460(2) . ?
C11 C12 1.431(2) . ?
C13 C18 1.415(2) . ?
C13 C14 1.429(2) . ?
C14 C15 1.421(2) . ?
C15 C16 1.362(3) . ?
C15 H15 0.9500 . ?
C16 C17 1.429(3) . ?
C16 H16 0.9500 . ?
C17 C18 1.374(2) . ?
C17 C19 1.480(2) . ?
C18 H18 0.9500 . ?
C19 C20 1.398(3) . ?
C19 C24 1.399(2) . ?
C20 C21 1.387(3) . ?
C20 H20 0.9500 . ?
C21 C22 1.397(2) . ?
C21 H21 0.9500 . ?
C22 C23 1.401(3) . ?
C22 C25 1.532(2) . ?
C23 C24 1.389(3) . ?
C23 H23 0.9500 . ?
C24 H24 0.9500 . ?
C25 C26 1.535(3) . ?
C25 C27 1.537(3) . ?
C25 C28 1.538(3) . ?
C26 H26A 0.9800 . ?
C26 H26B 0.9800 . ?
C26 H26C 0.9800 . ?
C27 H27A 0.9800 . ?
C27 H27B 0.9800 . ?
C27 H27C 0.9800 . ?
C28 H28A 0.9800 . ?
C28 H28B 0.9800 . ?
C28 H28C 0.9800 . ?
C91 H91 1.0000 . ?

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
C3 N1 C9 117.80(16) . . ?
C4 N2 C8 117.72(16) . . ?
C12 N3 C13 116.65(15) . . ?
C11 N4 C14 116.86(15) . . ?
C2 C1 C10 119.61(17) . . ?
C2 C1 H1 120.2 . . ?
C10 C1 H1 120.2 . . ?
C1 C2 C3 118.09(17) . . ?
C1 C2 H2 121.0 . . ?
C3 C2 H2 121.0 . . ?
N1 C3 C2 123.91(17) . . ?
N1 C3 H3 118.0 . . ?
C2 C3 H3 118.0 . . ?
N2 C4 C5 124.00(17) . . ?
N2 C4 H4 118.0 . . ?
C5 C4 H4 118.0 . . ?
C6 C5 C4 118.08(17) . . ?
C6 C5 H5 121.0 . . ?
C4 C5 H5 121.0 . . ?
C5 C6 C7 119.56(17) . . ?
C5 C6 H6 120.2 . . ?
C7 C6 H6 120.2 . . ?
C6 C7 C8 118.15(16) . . ?
C6 C7 C12 120.92(16) . . ?
C8 C7 C12 120.93(16) . . ?
N2 C8 C7 122.47(16) . . ?
N2 C8 C9 117.76(16) . . ?
C7 C8 C9 119.76(16) . . ?
N1 C9 C10 122.51(16) . . ?
N1 C9 C8 118.03(16) . . ?
C10 C9 C8 119.46(16) . . ?
C1 C10 C9 118.09(16) . . ?
C1 C10 C11 120.76(16) . . ?
C9 C10 C11 121.15(16) . . ?
N4 C11 C12 121.83(16) . . ?
N4 C11 C10 118.92(16) . . ?
C12 C11 C10 119.24(15) . . ?
N3 C12 C11 121.96(16) . . ?
N3 C12 C7 118.78(15) . . ?
C11 C12 C7 119.26(16) . . ?
N3 C13 C18 119.56(16) . . ?
N3 C13 C14 121.24(16) . . ?
C18 C13 C14 119.20(16) . . ?
N4 C14 C15 119.99(16) . . ?
N4 C14 C13 121.28(16) . . ?
C15 C14 C13 118.73(16) . . ?
C16 C15 C14 120.29(17) . . ?
C16 C15 H15 119.9 . . ?
C14 C15 H15 119.9 . . ?
C15 C16 C17 121.69(16) . . ?
C15 C16 H16 119.2 . . ?
C17 C16 H16 119.2 . . ?
C18 C17 C16 118.57(16) . . ?
C18 C17 C19 121.38(16) . . ?
C16 C17 C19 120.05(16) . . ?
C17 C18 C13 121.44(17) . . ?
C17 C18 H18 119.3 . . ?
C13 C18 H18 119.3 . . ?
C20 C19 C24 117.51(16) . . ?
C20 C19 C17 121.15(16) . . ?
C24 C19 C17 121.34(16) . . ?
C21 C20 C19 121.38(16) . . ?
C21 C20 H20 119.3 . . ?
C19 C20 H20 119.3 . . ?
C20 C21 C22 121.43(17) . . ?
C20 C21 H21 119.3 . . ?
C22 C21 H21 119.3 . . ?
C21 C22 C23 117.07(16) . . ?
C21 C22 C25 122.50(16) . . ?
C23 C22 C25 120.29(15) . . ?
C24 C23 C22 121.69(16) . . ?
C24 C23 H23 119.2 . . ?
C22 C23 H23 119.2 . . ?
C23 C24 C19 120.92(17) . . ?
C23 C24 H24 119.5 . . ?
C19 C24 H24 119.5 . . ?
C22 C25 C26 112.03(15) . . ?
C22 C25 C27 107.82(15) . . ?
C26 C25 C27 109.25(16) . . ?
C22 C25 C28 110.81(15) . . ?
C26 C25 C28 107.78(16) . . ?
C27 C25 C28 109.11(16) . . ?
C25 C26 H26A 109.5 . . ?
C25 C26 H26B 109.5 . . ?
H26A C26 H26B 109.5 . . ?
C25 C26 H26C 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
C25 C27 H27A 109.5 . . ?
C25 C27 H27B 109.5 . . ?
H27A C27 H27B 109.5 . . ?
C25 C27 H27C 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
C25 C28 H28A 109.5 . . ?
C25 C28 H28B 109.5 . . ?
H28A C28 H28B 109.5 . . ?
C25 C28 H28C 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
Cl91 C91 Cl92 110.37(10) . . ?
Cl91 C91 Cl93 109.94(10) . . ?
Cl92 C91 Cl93 110.56(11) . . ?
Cl91 C91 H91 108.6 . . ?
Cl92 C91 H91 108.6 . . ?
Cl93 C91 H91 108.6 . . ?

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
C10 C1 C2 C3 -0.2(3) . . . . ?
C9 N1 C3 C2 0.5(3) . . . . ?
C1 C2 C3 N1 -0.1(3) . . . . ?
C8 N2 C4 C5 0.1(3) . . . . ?
N2 C4 C5 C6 0.4(3) . . . . ?
C4 C5 C6 C7 -0.7(3) . . . . ?
C5 C6 C7 C8 0.4(3) . . . . ?
C5 C6 C7 C12 -179.64(17) . . . . ?
C4 N2 C8 C7 -0.5(3) . . . . ?
C4 N2 C8 C9 178.54(16) . . . . ?
C6 C7 C8 N2 0.2(3) . . . . ?
C12 C7 C8 N2 -179.79(16) . . . . ?
C6 C7 C8 C9 -178.76(16) . . . . ?
C12 C7 C8 C9 1.2(3) . . . . ?
C3 N1 C9 C10 -0.6(3) . . . . ?
C3 N1 C9 C8 179.28(16) . . . . ?
N2 C8 C9 N1 -1.8(2) . . . . ?
C7 C8 C9 N1 177.19(16) . . . . ?
N2 C8 C9 C10 178.05(16) . . . . ?
C7 C8 C9 C10 -2.9(3) . . . . ?
C2 C1 C10 C9 0.1(3) . . . . ?
C2 C1 C10 C11 179.94(17) . . . . ?
N1 C9 C10 C1 0.3(3) . . . . ?
C8 C9 C10 C1 -179.57(16) . . . . ?
N1 C9 C10 C11 -179.53(16) . . . . ?
C8 C9 C10 C11 0.6(3) . . . . ?
C14 N4 C11 C12 1.4(3) . . . . ?
C14 N4 C11 C10 -177.98(15) . . . . ?
C1 C10 C11 N4 3.0(3) . . . . ?
C9 C10 C11 N4 -177.20(16) . . . . ?
C1 C10 C11 C12 -176.41(17) . . . . ?
C9 C10 C11 C12 3.4(3) . . . . ?
C13 N3 C12 C11 2.7(3) . . . . ?
C13 N3 C12 C7 -177.03(15) . . . . ?
N4 C11 C12 N3 -4.2(3) . . . . ?
C10 C11 C12 N3 175.18(16) . . . . ?
N4 C11 C12 C7 175.58(16) . . . . ?
C10 C11 C12 C7 -5.0(2) . . . . ?
C6 C7 C12 N3 2.6(3) . . . . ?
C8 C7 C12 N3 -177.44(16) . . . . ?
C6 C7 C12 C11 -177.22(16) . . . . ?
C8 C7 C12 C11 2.8(3) . . . . ?
C12 N3 C13 C18 -178.91(16) . . . . ?
C12 N3 C13 C14 1.0(3) . . . . ?
C11 N4 C14 C15 -178.18(16) . . . . ?
C11 N4 C14 C13 2.4(3) . . . . ?
N3 C13 C14 N4 -3.8(3) . . . . ?
C18 C13 C14 N4 176.17(16) . . . . ?
N3 C13 C14 C15 176.78(16) . . . . ?
C18 C13 C14 C15 -3.3(3) . . . . ?
N4 C14 C15 C16 -177.81(17) . . . . ?
C13 C14 C15 C16 1.7(3) . . . . ?
C14 C15 C16 C17 1.0(3) . . . . ?
C15 C16 C17 C18 -2.0(3) . . . . ?
C15 C16 C17 C19 178.05(17) . . . . ?
C16 C17 C18 C13 0.2(3) . . . . ?
C19 C17 C18 C13 -179.78(16) . . . . ?
N3 C13 C18 C17 -177.72(17) . . . . ?
C14 C13 C18 C17 2.4(3) . . . . ?
C18 C17 C19 C20 -32.2(3) . . . . ?
C16 C17 C19 C20 147.78(18) . . . . ?
C18 C17 C19 C24 148.06(18) . . . . ?
C16 C17 C19 C24 -32.0(3) . . . . ?
C24 C19 C20 C21 0.6(3) . . . . ?
C17 C19 C20 C21 -179.14(17) . . . . ?
C19 C20 C21 C22 -0.2(3) . . . . ?
C20 C21 C22 C23 -0.3(3) . . . . ?
C20 C21 C22 C25 175.40(17) . . . . ?
C21 C22 C23 C24 0.3(3) . . . . ?
C25 C22 C23 C24 -175.49(17) . . . . ?
C22 C23 C24 C19 0.2(3) . . . . ?
C20 C19 C24 C23 -0.6(3) . . . . ?
C17 C19 C24 C23 179.15(17) . . . . ?
C21 C22 C25 C26 16.9(2) . . . . ?
C23 C22 C25 C26 -167.58(17) . . . . ?
C21 C22 C25 C27 -103.3(2) . . . . ?
C23 C22 C25 C27 72.2(2) . . . . ?
C21 C22 C25 C28 137.31(18) . . . . ?
C23 C22 C25 C28 -47.2(2) . . . . ?

#===END



_database_code_depnum_ccdc_archive 'CCDC 1001500'
