# Supplementary Information (SI) for Organic & Biomolecular Chemistry.
# 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).
# 
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# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
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data_dzf67b_0m
_database_code_depnum_ccdc_archive 'CCDC 1538795'
_audit_update_record             
;
2017-03-18 deposited with the CCDC.	2025-11-05 downloaded from the CCDC.
;
_audit_creation_date             2016-11-19
_audit_creation_method           
;
Olex2 1.2
(compiled 2016.11.07 svn.r3352 for OlexSys, GUI svn.r5261)
;
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         '3(C18 N2 O3), C18 N3 O2'
_chemical_formula_sum            'C H N O'
_chemical_formula_weight         43.03
_chemical_absolute_configuration ?
_chemical_melting_point          ?
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'
O O 0.0106 0.0060 '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'

_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.
;
_space_group_crystal_system      triclinic
_space_group_IT_number           1
_space_group_name_H-M_alt        'P 1'
_space_group_name_Hall           'P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'

_cell_length_a                   7.5494(14)
_cell_length_b                   24.117(5)
_cell_length_c                   8.3213(16)
_cell_angle_alpha                90
_cell_angle_beta                 93.888(2)
_cell_angle_gamma                90
_cell_volume                     1511.6(5)
_cell_formula_units_Z            1
_cell_measurement_reflns_used    3655
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      25.901
_cell_measurement_theta_min      3.527
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    0.004
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.6639
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2008/1 (Bruker,2008) was used for absorption correction.
wR2(int) was 0.0841 before and 0.0346 after correction.
The Ratio of minimum to maximum transmission is 0.8904.
The λ/2 correction factor is 0.0015.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            ?
_exptl_crystal_density_diffrn    0.047
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       ?
_exptl_crystal_F_000             22
_exptl_crystal_size_max          ?
_exptl_crystal_size_mid          ?
_exptl_crystal_size_min          ?
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0116
_diffrn_reflns_av_unetI/netI     0.0283
_diffrn_reflns_Laue_measured_fraction_full 0.942
_diffrn_reflns_Laue_measured_fraction_max 0.910
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       31
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       10
_diffrn_reflns_limit_l_min       -10
_diffrn_reflns_number            8726
_diffrn_reflns_point_group_measured_fraction_full 0.590
_diffrn_reflns_point_group_measured_fraction_max 0.565
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.393
_diffrn_reflns_theta_min         3.527
_diffrn_ambient_temperature      296.15
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.942
_diffrn_measured_fraction_theta_max 0.910
_diffrn_measurement_device_type  ?
_diffrn_measurement_method       ?
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_reflns_Friedel_coverage         0.241
_reflns_Friedel_fraction_full    0.238
_reflns_Friedel_fraction_max     0.219
_reflns_number_gt                6266
_reflns_number_total             7742
_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.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT v7.68A (Bruker, 2009)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT v7.68A (Bruker, 2009)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         0.681
_refine_diff_density_min         -0.459
_refine_diff_density_rms         0.081
_refine_ls_abs_structure_details 
;
 Flack x determined using 1086 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.2(5)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.071
_refine_ls_hydrogen_treatment    undef
_refine_ls_matrix_type           full
_refine_ls_number_parameters     369
_refine_ls_number_reflns         7742
_refine_ls_number_restraints     3
_refine_ls_R_factor_all          0.1183
_refine_ls_R_factor_gt           0.1040
_refine_ls_restrained_S_all      1.071
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1780P)²+1.5570P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2913
_refine_ls_wR_factor_ref         0.3084
_refine_special_details          ?
_olex2_refinement_description    
;
;
_atom_sites_solution_hydrogens   .
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
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
O001 O 0.7476(7) 0.8217(2) 0.4610(7) 0.0593(13) Uiso 1 1 d . . . . .
O002 O 0.2525(7) 0.3216(3) 0.5390(7) 0.0623(14) Uiso 1 1 d . . . . .
O003 O 1.1445(8) 0.8871(3) 0.6814(8) 0.0712(16) Uiso 1 1 d . . . . .
O004 O 0.4094(8) 1.1108(3) 0.7104(8) 0.0742(17) Uiso 1 1 d . . . . .
N005 N 0.5917(8) 0.6108(3) 0.2890(8) 0.0578(16) Uiso 1 1 d . . . . .
N006 N -0.1444(8) 0.3872(3) 0.3189(8) 0.0563(15) Uiso 1 1 d . . . . .
N007 N 0.6510(7) 0.8922(3) 0.6799(7) 0.0468(13) Uiso 1 1 d . . . . .
O008 O 0.7087(8) 1.1664(3) 0.4325(8) 0.0661(15) Uiso 1 1 d . . . . .
O009 O 0.7332(8) 0.8679(3) 0.9372(9) 0.0759(17) Uiso 1 1 d . . . . .
O00A O 0.2909(8) 0.6664(3) 0.5682(8) 0.0668(15) Uiso 1 1 d . . . . .
O00B O 0.2663(9) 0.3680(3) 0.0618(9) 0.0786(18) Uiso 1 1 d . . . . .
N00C N 0.3496(7) 0.3923(3) 0.3217(7) 0.0463(13) Uiso 1 1 d . . . . .
N00D N 0.1084(8) 0.6036(3) 0.3554(8) 0.0528(14) Uiso 1 1 d . . . . .
N00E N 0.8908(8) 1.1036(3) 0.6447(8) 0.0525(14) Uiso 1 1 d . . . . .
O00F O 0.1014(8) 0.5407(3) 0.6148(8) 0.0697(16) Uiso 1 1 d . . . . .
N00G N 0.8995(8) 1.0409(3) 0.3858(8) 0.0536(14) Uiso 1 1 d . . . . .
N00H N 0.5099(8) 0.9441(3) 0.4205(8) 0.0542(15) Uiso 1 1 d . . . . .
O00I O 0.8850(9) 1.1334(3) 0.9019(9) 0.0759(17) Uiso 1 1 d . . . . .
N00J N 0.4894(8) 0.4442(3) 0.5809(8) 0.0523(14) Uiso 1 1 d . . . . .
O00K O 0.1134(9) 0.6335(3) 0.0976(9) 0.0764(17) Uiso 1 1 d . . . . .
C00L C 0.5198(8) 0.9736(3) 0.5578(8) 0.0444(14) Uiso 1 1 d . . . . .
C00M C 0.9612(9) 1.0169(3) 0.5259(9) 0.0472(15) Uiso 1 1 d . . . . .
C00N C 0.0390(8) 0.5172(3) 0.4749(9) 0.0444(14) Uiso 1 1 d . . . . .
C00O C 0.7859(9) 0.7831(3) 0.5766(9) 0.0493(16) Uiso 1 1 d . . . . .
C00P C 0.2134(9) 0.2826(3) 0.4226(9) 0.0492(16) Uiso 1 1 d . . . . .
C00Q C 0.7161(9) 0.8558(3) 0.7925(9) 0.0492(16) Uiso 1 1 d . . . . .
C00R C 0.4798(9) 0.4738(3) 0.4426(9) 0.0452(15) Uiso 1 1 d . . . . .
C00S C 0.2839(9) 0.3557(3) 0.2079(9) 0.0507(16) Uiso 1 1 d . . . . .
C00T C 0.4703(9) 1.0565(3) 0.7153(9) 0.0505(16) Uiso 1 1 d . . . . .
C00U C 0.0379(9) 0.5508(3) 0.3330(9) 0.0472(15) Uiso 1 1 d . . . . .
C00V C 0.5925(8) 0.9466(3) 0.7005(8) 0.0434(14) Uiso 1 1 d . . . . .
C00W C 0.4596(9) 1.0280(3) 0.5669(9) 0.0496(16) Uiso 1 1 d . . . . .
C00X C 0.8556(10) 1.1419(4) 0.7582(10) 0.0537(17) Uiso 1 1 d . . . . .
C00Y C 0.9626(9) 1.0505(3) 0.6683(9) 0.0470(15) Uiso 1 1 d . . . . .
C00Z C 0.2289(9) 0.2993(3) 0.2647(9) 0.0485(15) Uiso 1 1 d . . . . .
C010 C 0.5287(10) 0.5570(3) 0.2843(10) 0.0523(17) Uiso 1 1 d . . . . .
C011 C 0.7715(9) 0.7995(3) 0.7358(9) 0.0465(15) Uiso 1 1 d . . . . .
C012 C 0.5425(10) 1.0304(4) 0.8529(10) 0.0564(18) Uiso 1 1 d . . . . .
C013 C -0.0899(9) 0.4412(4) 0.3124(10) 0.0527(17) Uiso 1 1 d . . . . .
C014 C 0.1449(10) 0.6422(4) 0.2432(10) 0.0538(17) Uiso 1 1 d . . . . .
C015 C 0.4076(8) 0.4472(3) 0.2986(8) 0.0429(14) Uiso 1 1 d . . . . .
C016 C 0.4585(10) 0.5307(4) 0.1478(10) 0.0545(17) Uiso 1 1 d . . . . .
C017 C 0.5402(9) 0.5283(3) 0.4335(9) 0.0467(15) Uiso 1 1 d . . . . .
C018 C 1.0898(9) 0.9408(3) 0.6859(10) 0.0517(16) Uiso 1 1 d . . . . .
C019 C 1.0230(9) 0.9620(3) 0.5339(9) 0.0467(15) Uiso 1 1 d . . . . .
C01A C -0.0305(10) 0.5285(4) 0.1877(10) 0.0541(17) Uiso 1 1 d . . . . .
C01B C -0.0224(9) 0.4620(3) 0.4663(9) 0.0492(16) Uiso 1 1 d . . . . .
C01C C 0.6028(9) 0.9754(3) 0.8457(9) 0.0495(16) Uiso 1 1 d . . . . .
C01D C 0.8117(10) 0.7618(4) 0.8596(10) 0.0585(19) Uiso 1 1 d . . . . .
C01E C 0.1886(10) 0.2615(4) 0.1399(10) 0.0581(19) Uiso 1 1 d . . . . .
C01F C 0.2159(10) 0.6971(3) 0.3030(10) 0.0535(17) Uiso 1 1 d . . . . .
C01G C 0.3984(9) 0.4758(3) 0.1560(9) 0.0488(16) Uiso 1 1 d . . . . .
C01H C -0.0108(11) 0.4302(4) 0.6111(11) 0.0600(19) Uiso 1 1 d . . . . .
C01I C 1.0299(10) 1.0281(4) 0.8107(10) 0.0550(17) Uiso 1 1 d . . . . .
C01J C -0.0951(10) 0.4733(4) 0.1819(10) 0.0539(17) Uiso 1 1 d . . . . .
C01K C 0.3812(13) 1.0228(5) 0.2826(13) 0.072(2) Uiso 1 1 d . . . . .
C01L C 0.8651(12) 0.7071(4) 0.8256(11) 0.065(2) Uiso 1 1 d . . . . .
C01M C 0.4427(11) 0.9679(4) 0.2884(11) 0.063(2) Uiso 1 1 d . . . . .
C01N C 0.7848(10) 1.1967(4) 0.6983(10) 0.0560(18) Uiso 1 1 d . . . . .
C01O C 0.8928(11) 1.0104(4) 0.2525(11) 0.064(2) Uiso 1 1 d . . . . .
C01P C 0.2832(10) 0.7087(3) 0.4628(10) 0.0520(16) Uiso 1 1 d . . . . .
C01Q C 0.1239(11) 0.1910(4) 0.3327(11) 0.064(2) Uiso 1 1 d . . . . .
C01R C 1.0969(10) 0.9731(4) 0.8193(10) 0.0547(17) Uiso 1 1 d . . . . .
C01S C 1.0113(10) 0.9304(4) 0.3879(11) 0.0598(19) Uiso 1 1 d . . . . .
C01T C 0.7169(9) 1.2087(3) 0.5394(9) 0.0509(16) Uiso 1 1 d . . . . .
C01U C 0.1086(11) 0.5096(4) 0.7480(11) 0.061(2) Uiso 1 1 d . . . . .
C01V C 0.1377(12) 0.2076(4) 0.1750(12) 0.067(2) Uiso 1 1 d . . . . .
C01W C 0.8755(11) 0.6910(4) 0.6659(11) 0.063(2) Uiso 1 1 d . . . . .
C01X C 0.6182(12) 0.5228(4) 0.7160(12) 0.069(2) Uiso 1 1 d . . . . .
C01Y C 1.2057(13) 0.8619(4) 0.8318(13) 0.074(2) Uiso 1 1 d . . . . .
C01Z C 0.5564(11) 0.4684(4) 0.7126(11) 0.062(2) Uiso 1 1 d . . . . .
C020 C 0.2092(12) 0.7393(4) 0.1886(12) 0.070(2) Uiso 1 1 d . . . . .
C021 C 0.8371(11) 0.7285(4) 0.5413(11) 0.0601(19) Uiso 1 1 d . . . . .
C022 C 0.3875(11) 1.0538(4) 0.4222(11) 0.062(2) Uiso 1 1 d . . . . .
C023 C 0.6618(12) 1.2620(4) 0.4986(12) 0.071(2) Uiso 1 1 d . . . . .
C024 C 0.6130(11) 0.5532(4) 0.5804(11) 0.0598(19) Uiso 1 1 d . . . . .
C025 C 0.7902(13) 1.2386(4) 0.8135(12) 0.073(2) Uiso 1 1 d . . . . .
C026 C 0.1632(11) 0.2286(4) 0.4593(11) 0.0611(19) Uiso 1 1 d . . . . .
C027 C -0.2059(13) 0.3617(4) 0.1664(13) 0.073(2) Uiso 1 1 d . . . . .
C028 C 0.6718(14) 1.3045(5) 0.6170(14) 0.077(3) Uiso 1 1 d . . . . .
C029 C 0.3283(14) 0.8043(5) 0.3837(14) 0.078(3) Uiso 1 1 d . . . . .
C02A C 0.3392(12) 0.7620(4) 0.5018(12) 0.067(2) Uiso 1 1 d . . . . .
C02B C 0.7328(14) 1.2927(5) 0.7737(14) 0.081(3) Uiso 1 1 d . . . . .
C02C C 0.9439(12) 0.9543(4) 0.2524(12) 0.069(2) Uiso 1 1 d . . . . .
C02D C 0.0576(12) 0.4543(4) 0.7469(12) 0.070(2) Uiso 1 1 d . . . . .
C02E C 0.2673(14) 0.7928(5) 0.2263(14) 0.082(3) Uiso 1 1 d . . . . .
C02F C 0.7585(13) 0.8064(5) 0.2940(13) 0.073(2) Uiso 1 1 d . . . . .
C02G C 0.2409(14) 0.3064(5) 0.7072(13) 0.077(3) Uiso 1 1 d . . . . .
C02H C 0.3938(15) 1.1386(5) 0.8599(14) 0.081(3) Uiso 1 1 d . . . . .
C02I C 0.6058(15) 0.6382(5) 0.1426(15) 0.084(3) Uiso 1 1 d . . . . .
C02J C 0.3460(14) 0.6758(5) 0.7308(14) 0.080(3) Uiso 1 1 d . . . . .
C02K C 0.6555(14) 1.1769(5) 0.2691(14) 0.082(3) Uiso 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
O001 C00O 1.355(10) . ?
O001 C02F 1.445(12) . ?
O002 C00P 1.369(9) . ?
O002 C02G 1.456(13) . ?
O003 C018 1.361(10) . ?
O003 C01Y 1.439(12) . ?
O004 C00T 1.387(11) . ?
O004 C02H 1.425(13) . ?
N005 C010 1.381(11) . ?
N005 C02I 1.397(15) . ?
N006 C013 1.369(11) . ?
N006 C027 1.456(12) . ?
N007 C00Q 1.352(10) . ?
N007 C00V 1.399(9) . ?
O008 C01T 1.352(10) . ?
O008 C02K 1.414(13) . ?
O009 C00Q 1.238(10) . ?
O00A C01P 1.345(10) . ?
O00A C02J 1.407(13) . ?
O00B C00S 1.250(11) . ?
N00C C00S 1.363(10) . ?
N00C C015 1.413(9) . ?
N00D C00U 1.389(10) . ?
N00D C014 1.360(11) . ?
N00E C00X 1.360(10) . ?
N00E C00Y 1.400(10) . ?
O00F C00N 1.351(9) . ?
O00F C01U 1.337(11) . ?
N00G C00M 1.356(10) . ?
N00G C01O 1.329(11) . ?
N00H C00L 1.343(9) . ?
N00H C01M 1.311(11) . ?
O00I C00X 1.219(10) . ?
N00J C00R 1.352(10) . ?
N00J C01Z 1.311(11) . ?
O00K C014 1.236(10) . ?
C00L C00V 1.430(10) . ?
C00L C00W 1.394(10) . ?
C00M C00Y 1.434(10) . ?
C00M C019 1.405(11) . ?
C00N C00U 1.431(10) . ?
C00N C01B 1.410(10) . ?
C00O C011 1.394(10) . ?
C00O C021 1.409(11) . ?
C00P C00Z 1.386(11) . ?
C00P C026 1.396(12) . ?
C00Q C011 1.505(10) . ?
C00R C015 1.433(9) . ?
C00R C017 1.396(10) . ?
C00S C00Z 1.508(11) . ?
C00T C00W 1.411(10) . ?
C00T C012 1.385(11) . ?
C00U C01A 1.390(11) . ?
C00V C01C 1.392(10) . ?
C00W C022 1.430(12) . ?
C00X C01N 1.498(12) . ?
C00Y C01I 1.368(11) . ?
C00Z C01E 1.399(11) . ?
C010 C016 1.376(11) . ?
C010 C017 1.419(11) . ?
C011 C01D 1.392(11) . ?
C012 C01C 1.405(11) . ?
C013 C01B 1.435(10) . ?
C013 C01J 1.332(11) . ?
C014 C01F 1.502(11) . ?
C015 C01G 1.370(10) . ?
C016 C01G 1.403(11) . ?
C017 C024 1.437(11) . ?
C018 C019 1.424(10) . ?
C018 C01R 1.354(11) . ?
C019 C01S 1.431(11) . ?
C01A C01J 1.416(11) . ?
C01B C01H 1.426(12) . ?
C01D C01L 1.415(13) . ?
C01E C01V 1.391(13) . ?
C01F C01P 1.419(11) . ?
C01F C020 1.391(13) . ?
C01H C02D 1.343(13) . ?
C01I C01R 1.419(12) . ?
C01K C01M 1.404(14) . ?
C01K C022 1.380(13) . ?
C01L C01W 1.391(13) . ?
C01N C01T 1.416(11) . ?
C01N C025 1.391(13) . ?
C01O C02C 1.408(14) . ?
C01P C02A 1.386(12) . ?
C01Q C01V 1.383(13) . ?
C01Q C026 1.407(12) . ?
C01S C02C 1.336(13) . ?
C01T C023 1.385(13) . ?
C01U C02D 1.388(14) . ?
C01W C021 1.391(13) . ?
C01X C01Z 1.392(13) . ?
C01X C024 1.345(13) . ?
C020 C02E 1.392(15) . ?
C023 C028 1.420(14) . ?
C025 C02B 1.407(16) . ?
C028 C02B 1.382(16) . ?
C029 C02A 1.414(15) . ?
C029 C02E 1.387(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
C00O O001 C02F 119.0(7) . . ?
C00P O002 C02G 118.8(7) . . ?
C018 O003 C01Y 117.2(7) . . ?
C00T O004 C02H 117.7(8) . . ?
C010 N005 C02I 117.8(7) . . ?
C013 N006 C027 116.5(8) . . ?
C00Q N007 C00V 128.9(6) . . ?
C01T O008 C02K 119.6(8) . . ?
C01P O00A C02J 120.1(8) . . ?
C00S N00C C015 127.9(7) . . ?
C014 N00D C00U 129.0(7) . . ?
C00X N00E C00Y 128.0(7) . . ?
C01U O00F C00N 118.1(7) . . ?
C01O N00G C00M 118.2(7) . . ?
C01M N00H C00L 118.5(7) . . ?
C01Z N00J C00R 118.2(7) . . ?
N00H C00L C00V 117.5(6) . . ?
N00H C00L C00W 123.1(7) . . ?
C00W C00L C00V 119.4(6) . . ?
N00G C00M C00Y 116.9(6) . . ?
N00G C00M C019 122.5(6) . . ?
C019 C00M C00Y 120.6(7) . . ?
O00F C00N C00U 117.1(6) . . ?
O00F C00N C01B 122.3(7) . . ?
C01B C00N C00U 120.6(6) . . ?
O001 C00O C011 117.0(6) . . ?
O001 C00O C021 122.8(7) . . ?
C011 C00O C021 120.2(7) . . ?
O002 C00P C00Z 116.3(7) . . ?
O002 C00P C026 122.4(7) . . ?
C00Z C00P C026 121.3(7) . . ?
N007 C00Q C011 117.6(6) . . ?
O009 C00Q N007 122.0(7) . . ?
O009 C00Q C011 120.3(7) . . ?
N00J C00R C015 118.1(6) . . ?
N00J C00R C017 123.0(6) . . ?
C017 C00R C015 118.9(7) . . ?
O00B C00S N00C 122.1(8) . . ?
O00B C00S C00Z 120.4(7) . . ?
N00C C00S C00Z 117.5(7) . . ?
O004 C00T C00W 115.8(7) . . ?
C012 C00T O004 124.4(7) . . ?
C012 C00T C00W 119.8(7) . . ?
N00D C00U C00N 115.3(6) . . ?
N00D C00U C01A 126.0(7) . . ?
C01A C00U C00N 118.7(7) . . ?
N007 C00V C00L 115.6(6) . . ?
C01C C00V N007 125.1(7) . . ?
C01C C00V C00L 119.3(6) . . ?
C00L C00W C00T 120.5(7) . . ?
C00L C00W C022 118.1(7) . . ?
C00T C00W C022 121.4(7) . . ?
N00E C00X C01N 116.8(7) . . ?
O00I C00X N00E 122.4(8) . . ?
O00I C00X C01N 120.8(8) . . ?
N00E C00Y C00M 114.8(6) . . ?
C01I C00Y N00E 126.8(7) . . ?
C01I C00Y C00M 118.4(7) . . ?
C00P C00Z C00S 127.0(7) . . ?
C00P C00Z C01E 119.1(7) . . ?
C01E C00Z C00S 113.9(7) . . ?
N005 C010 C017 115.6(7) . . ?
C016 C010 N005 124.7(8) . . ?
C016 C010 C017 119.7(7) . . ?
C00O C011 C00Q 126.5(7) . . ?
C01D C011 C00O 119.4(7) . . ?
C01D C011 C00Q 114.1(6) . . ?
C00T C012 C01C 120.3(7) . . ?
N006 C013 C01B 112.7(7) . . ?
C01J C013 N006 126.3(7) . . ?
C01J C013 C01B 120.9(8) . . ?
N00D C014 C01F 117.4(7) . . ?
O00K C014 N00D 121.5(8) . . ?
O00K C014 C01F 121.0(8) . . ?
N00C C015 C00R 114.1(6) . . ?
C01G C015 N00C 126.3(6) . . ?
C01G C015 C00R 119.6(7) . . ?
C010 C016 C01G 120.2(8) . . ?
C00R C017 C010 120.4(7) . . ?
C00R C017 C024 117.1(7) . . ?
C010 C017 C024 122.5(7) . . ?
O003 C018 C019 113.9(7) . . ?
C01R C018 O003 125.1(8) . . ?
C01R C018 C019 120.9(7) . . ?
C00M C019 C018 118.4(6) . . ?
C00M C019 C01S 117.4(7) . . ?
C018 C019 C01S 124.2(7) . . ?
C00U C01A C01J 120.0(8) . . ?
C00N C01B C013 118.0(7) . . ?
C00N C01B C01H 117.6(7) . . ?
C01H C01B C013 124.3(7) . . ?
C00V C01C C012 120.6(7) . . ?
C011 C01D C01L 120.8(8) . . ?
C01V C01E C00Z 120.1(8) . . ?
C01P C01F C014 125.5(7) . . ?
C020 C01F C014 115.0(7) . . ?
C020 C01F C01P 119.5(8) . . ?
C015 C01G C016 121.3(7) . . ?
C02D C01H C01B 118.4(8) . . ?
C00Y C01I C01R 121.4(7) . . ?
C013 C01J C01A 121.7(7) . . ?
C022 C01K C01M 119.4(9) . . ?
C01W C01L C01D 119.1(9) . . ?
N00H C01M C01K 123.3(8) . . ?
C01T C01N C00X 126.1(7) . . ?
C025 C01N C00X 114.7(8) . . ?
C025 C01N C01T 119.2(8) . . ?
N00G C01O C02C 122.5(9) . . ?
O00A C01P C01F 117.4(7) . . ?
O00A C01P C02A 123.6(7) . . ?
C02A C01P C01F 119.1(8) . . ?
C01V C01Q C026 119.9(9) . . ?
C018 C01R C01I 120.2(8) . . ?
C02C C01S C019 119.1(8) . . ?
O008 C01T C01N 117.2(7) . . ?
O008 C01T C023 122.6(8) . . ?
C023 C01T C01N 120.1(8) . . ?
O00F C01U C02D 122.5(8) . . ?
C01Q C01V C01E 120.7(9) . . ?
C021 C01W C01L 120.6(8) . . ?
C024 C01X C01Z 120.4(9) . . ?
N00J C01Z C01X 123.1(9) . . ?
C01F C020 C02E 121.8(9) . . ?
C01W C021 C00O 119.9(8) . . ?
C01K C022 C00W 117.5(8) . . ?
C01T C023 C028 119.9(9) . . ?
C01X C024 C017 118.3(8) . . ?
C01N C025 C02B 121.1(9) . . ?
C00P C026 C01Q 118.9(8) . . ?
C02B C028 C023 120.3(10) . . ?
C02E C029 C02A 120.8(11) . . ?
C01P C02A C029 120.3(9) . . ?
C028 C02B C025 119.4(10) . . ?
C01S C02C C01O 120.1(9) . . ?
C01H C02D C01U 120.9(10) . . ?
C029 C02E C020 118.6(11) . . ?

_shelx_SHELXL_version_number     2014/7
_olex2_submission_special_instructions 'No special instructions were received'
