# Electronic Supplementary Material (ESI) for CrystEngComm.
# This journal is © The Royal Society of Chemistry 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_mjl17099_0m
_database_code_depnum_ccdc_archive 'CCDC 1818417'
_audit_update_record             
;
2018-12-22 deposited with the CCDC.
2019-01-29 downloaded from the CCDC.
;
_vrf_RINTA01_mjl17099_0m         
;
PROBLEM: The value of Rint is greater than 0.18
RESPONSE: This alert is related to the very small crystal size (0.01*0.02*0.05)
 and the weak diffraction. ANE-d is an Ostwald metastable polymorph,
 which is obtained by contact line crystallization. 
The key step to obtain this polymorph is to separate 
ANE-d crystals right away from the solution once they are crystallized.
As demonstrated in the main text, in solution ANE-d polymorph can easily
 undergo phase transition to form ANE-a or ANE-b polymorph. Under this 
kind of crystal growth condition, the crystal size of ANE-d polymorph is
 very small, especially in the direction that is vertical to the growth
 direction. On the other hand, ANE molecule only contains C and H elements.
 Thus the diffraction ability is weak. Due to the very small crystal size
 and the weak diffraction, we cannot obtain discernible diffraction spots 
when using Cu or Mo radiation. The crystal structure was determined 
using Ga radiation. However, the overall quality of the data is not 
very good, which results in a high Rint.
;
_vrf_PLAT020_mjl17099_0m         
;
PROBLEM: The Value of Rint is Greater Than 0.12 .........      0.235 Report
RESPONSE: The same reason as that of the above alert.
;
_vrf_PLAT026_mjl17099_0m         
;
PROBLEM: Ratio Observed / Unique Reflections (too) Low ..        32% Check 
RESPONSE: The low ratio is attributed to the weak difraction data,
especially in the high diffration angle zone. This is mostly caused 
by the very small crystal size. 
;
_vrf_PLAT340_mjl17099_0m         
;
PROBLEM: Low Bond Precision on  C-C Bonds ...............    0.01688 Ang.  
RESPONSE: The low bond precision is also originated from 
the weak diffraction data.
;
_audit_creation_date             2018-12-11
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_chemical_name_common            ?
_chemical_name_systematic        
;
 ? 
;
_chemical_formula_moiety         'C26 H18'
_chemical_formula_sum            'C26 H18'
_chemical_formula_weight         330.40
_chemical_absolute_configuration unk
_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 0.0150 0.0070 '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'

_space_group_crystal_system      monoclinic
_space_group_IT_number           4
_space_group_name_H-M_alt        'P 1 21 1'
_space_group_name_Hall           'P 2yb'
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 'x, y, z'
2 '-x, y+1/2, -z'

_cell_length_a                   9.7845(14)
_cell_length_b                   5.5978(8)
_cell_length_c                   32.633(5)
_cell_angle_alpha                90.00
_cell_angle_beta                 95.028(10)
_cell_angle_gamma                90.00
_cell_volume                     1780.5(4)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    2803
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      52.200
_cell_measurement_theta_min      3.947
_exptl_absorpt_coefficient_mu    0.340
_exptl_absorpt_correction_T_max  0.9966
_exptl_absorpt_correction_T_min  0.9832
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
'SADABS-2016/2 (Bruker,2016/2) was used for absorption correction. wR2(int) was 0.1467 before and 0.0852 after correction. The Ratio of minimum to maximum transmission is 0.7762. The λ/2 correction factor is Not present.'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.233
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             696
_exptl_crystal_size_max          0.05
_exptl_crystal_size_mid          0.02
_exptl_crystal_size_min          0.01
_exptl_special_details           
;
 ? 
;
_diffrn_reflns_av_R_equivalents  0.2351
_diffrn_reflns_av_unetI/netI     0.1734
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       6
_diffrn_reflns_limit_k_min       -6
_diffrn_reflns_limit_l_max       39
_diffrn_reflns_limit_l_min       -39
_diffrn_reflns_number            43681
_diffrn_reflns_theta_full        55.67
_diffrn_reflns_theta_max         55.67
_diffrn_reflns_theta_min         3.55
_diffrn_ambient_temperature      296.0
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.983
_diffrn_measured_fraction_theta_max 0.983
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           GaK\a
_diffrn_radiation_wavelength     1.34139
_diffrn_source                   'fine-focus sealed tube'
_diffrn_standards_decay_%        ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_number         0
_reflns_number_gt                2135
_reflns_number_total             6700
_reflns_threshold_expression     >2sigma(I)
_computing_cell_refinement       'SAINT v8.37A (Bruker, 2015)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT v8.37A (Bruker, 2015)'
_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    'olex2.solve (Bourhis et al., 2015)'
_refine_diff_density_max         0.148
_refine_diff_density_min         -0.168
_refine_diff_density_rms         0.043
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0(4)
_refine_ls_extinction_coef       0.0121(10)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   0.960
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     470
_refine_ls_number_reflns         6700
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.2605
_refine_ls_R_factor_gt           0.0799
_refine_ls_restrained_S_all      0.960
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0795P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1551
_refine_ls_wR_factor_ref         0.2312
_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. 
;
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
2.a Aromatic/amide H refined with riding coordinates:
 C2(H2), C3(H3), C4(H4), C5(H5), C7(H7), C8(H8), C9(H9), C11(H11), C12(H12),
 C15(H15), C16(H16), C17(H17), C18(H18), C20(H20), C22(H22), C23(H23), C24(H24),
  C25(H25), C2A(H2A), C3A(H3A), C4A(H4A), C5A(H5A), C7A(H7A), C8A(H8A),
 C9A(H9A), C11A(H11A), C12A(H12A), C15A(H15A), C16A(H16A), C17A(H17A),
 C18A(H18A), C20A(H20A), C22A(H22A), C23A(H23A), C24A(H24A), C25A(H25A)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     iterative
_atom_sites_solution_secondary   difmap
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_calc_flag
_atom_site_disorder_assembly
_atom_site_disorder_group
_atom_site_refinement_flags_posn
C1 C 0.7163(8) 0.0580(16) 0.9818(2) 0.079(2) Uani 1 d . . .
C2 C 0.6321(7) 0.2277(15) 0.9993(3) 0.091(2) Uani 1 d . . .
H2 H 0.5827 0.3379 0.9826 0.109 Uiso 1 calc . . R
C3 C 0.6233(8) 0.230(2) 1.0410(3) 0.110(3) Uani 1 d . . .
H3 H 0.5683 0.3431 1.0525 0.133 Uiso 1 calc . . R
C4 C 0.6954(10) 0.066(2) 1.0664(3) 0.117(3) Uani 1 d . . .
H4 H 0.6888 0.0693 1.0946 0.140 Uiso 1 calc . . R
C5 C 0.7743(9) -0.0975(19) 1.0502(3) 0.101(3) Uani 1 d . . .
H5 H 0.8215 -0.2071 1.0675 0.121 Uiso 1 calc . . R
C6 C 0.7883(8) -0.1090(16) 1.0078(3) 0.087(2) Uani 1 d . . .
C7 C 0.8686(9) -0.2821(18) 0.9907(4) 0.109(3) Uani 1 d . . .
H7 H 0.9139 -0.3946 1.0079 0.131 Uiso 1 calc . . R
C8 C 0.8829(8) -0.2914(19) 0.9492(3) 0.114(3) Uani 1 d . . .
H8 H 0.9397 -0.4043 0.9385 0.136 Uiso 1 calc . . R
C9 C 0.8089(8) -0.1251(17) 0.9232(3) 0.101(3) Uani 1 d . . .
H9 H 0.8176 -0.1305 0.8951 0.121 Uiso 1 calc . . R
C10 C 0.7258(7) 0.0420(15) 0.9380(3) 0.086(2) Uani 1 d . . .
C11 C 0.6466(8) 0.2083(16) 0.9097(2) 0.095(2) Uani 1 d . . .
H11 H 0.6371 0.3659 0.9181 0.113 Uiso 1 calc . . R
C12 C 0.5898(8) 0.1455(15) 0.8739(3) 0.100(3) Uani 1 d . . .
H12 H 0.5980 -0.0134 0.8662 0.121 Uiso 1 calc . . R
C13 C 0.5131(9) 0.3079(18) 0.8446(2) 0.091(2) Uani 1 d . . .
C14 C 0.3669(11) 0.2727(19) 0.8353(2) 0.096(2) Uani 1 d . . .
C15 C 0.2961(11) 0.0906(19) 0.8545(2) 0.105(3) Uani 1 d . . .
H15 H 0.3447 -0.0131 0.8726 0.126 Uiso 1 calc . . R
C16 C 0.1560(12) 0.063(2) 0.8469(3) 0.129(3) Uani 1 d . . .
H16 H 0.1112 -0.0608 0.8591 0.155 Uiso 1 calc . . R
C17 C 0.0812(11) 0.225(3) 0.8204(4) 0.135(4) Uani 1 d . . .
H17 H -0.0138 0.2115 0.8165 0.161 Uiso 1 calc . . R
C18 C 0.1431(11) 0.396(2) 0.8008(3) 0.120(3) Uani 1 d . . .
H18 H 0.0923 0.4943 0.7822 0.144 Uiso 1 calc . . R
C19 C 0.2920(10) 0.431(2) 0.8085(3) 0.098(3) Uani 1 d . . .
C20 C 0.3570(11) 0.6141(19) 0.7891(2) 0.108(3) Uani 1 d . . .
H20 H 0.3056 0.7168 0.7714 0.129 Uiso 1 calc . . R
C21 C 0.5012(11) 0.6460(17) 0.7959(3) 0.094(3) Uani 1 d . . .
C22 C 0.5682(13) 0.8278(19) 0.7752(2) 0.118(3) Uani 1 d . . .
H22 H 0.5176 0.9301 0.7573 0.142 Uiso 1 calc . . R
C23 C 0.7065(13) 0.853(2) 0.7816(3) 0.128(3) Uani 1 d . . .
H23 H 0.7504 0.9769 0.7691 0.153 Uiso 1 calc . . R
C24 C 0.7829(10) 0.691(2) 0.8073(3) 0.120(3) Uani 1 d . . .
H24 H 0.8780 0.7028 0.8100 0.144 Uiso 1 calc . . R
C25 C 0.7221(10) 0.5198(18) 0.8279(2) 0.105(3) Uani 1 d . . .
H25 H 0.7759 0.4209 0.8456 0.126 Uiso 1 calc . . R
C26 C 0.5756(10) 0.4848(17) 0.8234(3) 0.094(3) Uani 1 d . . .
C1A C 0.2146(7) 0.4437(14) 0.4983(2) 0.0702(19) Uani 1 d . . .
C2A C 0.1201(7) 0.6300(15) 0.4881(2) 0.080(2) Uani 1 d . . .
H2A H 0.1036 0.7424 0.5080 0.096 Uiso 1 calc . . R
C3A C 0.0520(7) 0.6504(15) 0.4498(2) 0.087(2) Uani 1 d . . .
H3A H -0.0096 0.7755 0.4444 0.104 Uiso 1 calc . . R
C4A C 0.0728(8) 0.4896(16) 0.4192(2) 0.088(2) Uani 1 d . . .
H4A H 0.0260 0.5061 0.3933 0.106 Uiso 1 calc . . R
C5A C 0.1627(8) 0.3054(16) 0.4271(2) 0.085(2) Uani 1 d . . .
H5A H 0.1775 0.1972 0.4063 0.102 Uiso 1 calc . . R
C6A C 0.2335(7) 0.2771(15) 0.4664(2) 0.0732(19) Uani 1 d . . .
C7A C 0.3265(7) 0.0859(15) 0.4749(2) 0.082(2) Uani 1 d . . .
H7A H 0.3427 -0.0226 0.4543 0.099 Uiso 1 calc . . R
C8A C 0.3929(7) 0.0604(15) 0.5134(3) 0.086(2) Uani 1 d . . .
H8A H 0.4525 -0.0673 0.5189 0.103 Uiso 1 calc . . R
C9A C 0.3716(7) 0.2255(15) 0.5446(2) 0.077(2) Uani 1 d . . .
H9A H 0.4182 0.2061 0.5705 0.092 Uiso 1 calc . . R
C10A C 0.2835(7) 0.4149(14) 0.5377(2) 0.071(2) Uani 1 d . . .
C11A C 0.2640(7) 0.5783(14) 0.5713(2) 0.077(2) Uani 1 d . . .
H11A H 0.1859 0.6735 0.5683 0.092 Uiso 1 calc . . R
C12A C 0.3447(7) 0.6074(15) 0.6057(2) 0.086(2) Uani 1 d . . .
H12A H 0.4248 0.5171 0.6084 0.103 Uiso 1 calc . . R
C13A C 0.3211(7) 0.7661(15) 0.6397(2) 0.076(2) Uani 1 d . . .
C14A C 0.1956(8) 0.7489(16) 0.6597(2) 0.0749(19) Uani 1 d . . .
C15A C 0.1006(8) 0.5600(16) 0.6518(2) 0.088(2) Uani 1 d . . .
H15A H 0.1193 0.4429 0.6328 0.105 Uiso 1 calc . . R
C16A C -0.0157(9) 0.5446(18) 0.6707(3) 0.102(3) Uani 1 d . . .
H16A H -0.0751 0.4167 0.6652 0.122 Uiso 1 calc . . R
C17A C -0.0480(9) 0.723(2) 0.6992(3) 0.103(3) Uani 1 d . . .
H17A H -0.1310 0.7173 0.7111 0.123 Uiso 1 calc . . R
C18A C 0.0404(8) 0.8994(18) 0.7090(2) 0.094(2) Uani 1 d . . .
H18A H 0.0191 1.0122 0.7283 0.113 Uiso 1 calc . . R
C19A C 0.1681(8) 0.9203(16) 0.6904(2) 0.084(2) Uani 1 d . . .
C20A C 0.2641(8) 1.1003(15) 0.7015(2) 0.086(2) Uani 1 d . . .
H20A H 0.2443 1.2152 0.7207 0.104 Uiso 1 calc . . R
C21A C 0.3878(8) 1.1082(16) 0.6840(2) 0.083(2) Uani 1 d . . .
C22A C 0.4859(9) 1.2914(16) 0.6959(2) 0.095(2) Uani 1 d . . .
H22A H 0.4647 1.4077 0.7147 0.114 Uiso 1 calc . . R
C23A C 0.6108(9) 1.2968(19) 0.6797(3) 0.110(3) Uani 1 d . . .
H23A H 0.6768 1.4081 0.6891 0.132 Uiso 1 calc . . R
C24A C 0.6378(8) 1.1361(17) 0.6494(3) 0.101(3) Uani 1 d . . .
H24A H 0.7210 1.1467 0.6378 0.122 Uiso 1 calc . . R
C25A C 0.5470(8) 0.9617(16) 0.6358(2) 0.094(2) Uani 1 d . . .
H25A H 0.5693 0.8542 0.6157 0.113 Uiso 1 calc . . R
C26A C 0.4173(7) 0.9466(14) 0.6528(2) 0.074(2) Uani 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
C1 C2 1.411(10) . ?
C1 C6 1.410(10) . ?
C1 C10 1.444(9) . ?
C2 H2 0.9300 . ?
C2 C3 1.372(9) . ?
C3 H3 0.9300 . ?
C3 C4 1.388(12) . ?
C4 H4 0.9300 . ?
C4 C5 1.335(11) . ?
C5 H5 0.9300 . ?
C5 C6 1.403(10) . ?
C6 C7 1.394(11) . ?
C7 H7 0.9300 . ?
C7 C8 1.374(11) . ?
C8 H8 0.9300 . ?
C8 C9 1.415(11) . ?
C9 H9 0.9300 . ?
C9 C10 1.355(10) . ?
C10 C11 1.480(10) . ?
C11 H11 0.9300 . ?
C11 C12 1.298(9) . ?
C12 H12 0.9300 . ?
C12 C13 1.475(11) . ?
C13 C14 1.450(11) . ?
C13 C26 1.382(11) . ?
C14 C15 1.410(11) . ?
C14 C19 1.405(10) . ?
C15 H15 0.9300 . ?
C15 C16 1.380(11) . ?
C16 H16 0.9300 . ?
C16 C17 1.412(14) . ?
C17 H17 0.9300 . ?
C17 C18 1.327(14) . ?
C18 H18 0.9300 . ?
C18 C19 1.469(12) . ?
C19 C20 1.388(12) . ?
C20 H20 0.9300 . ?
C20 C21 1.421(11) . ?
C21 C22 1.413(12) . ?
C21 C26 1.427(10) . ?
C22 H22 0.9300 . ?
C22 C23 1.359(11) . ?
C23 H23 0.9300 . ?
C23 C24 1.404(11) . ?
C24 H24 0.9300 . ?
C24 C25 1.340(11) . ?
C25 H25 0.9300 . ?
C25 C26 1.441(11) . ?
C1A C2A 1.415(9) . ?
C1A C6A 1.423(9) . ?
C1A C10A 1.408(8) . ?
C2A H2A 0.9300 . ?
C2A C3A 1.367(8) . ?
C3A H3A 0.9300 . ?
C3A C4A 1.373(9) . ?
C4A H4A 0.9300 . ?
C4A C5A 1.365(10) . ?
C5A H5A 0.9300 . ?
C5A C6A 1.413(9) . ?
C6A C7A 1.417(10) . ?
C7A H7A 0.9300 . ?
C7A C8A 1.371(8) . ?
C8A H8A 0.9300 . ?
C8A C9A 1.404(10) . ?
C9A H9A 0.9300 . ?
C9A C10A 1.373(9) . ?
C10A C11A 1.452(9) . ?
C11A H11A 0.9300 . ?
C11A C12A 1.325(8) . ?
C12A H12A 0.9300 . ?
C12A C13A 1.457(9) . ?
C13A C14A 1.444(9) . ?
C13A C26A 1.420(10) . ?
C14A C15A 1.416(10) . ?
C14A C19A 1.428(10) . ?
C15A H15A 0.9300 . ?
C15A C16A 1.345(9) . ?
C16A H16A 0.9300 . ?
C16A C17A 1.420(12) . ?
C17A H17A 0.9300 . ?
C17A C18A 1.332(11) . ?
C18A H18A 0.9300 . ?
C18A C19A 1.441(9) . ?
C19A C20A 1.403(10) . ?
C20A H20A 0.9300 . ?
C20A C21A 1.383(9) . ?
C21A C22A 1.434(10) . ?
C21A C26A 1.410(9) . ?
C22A H22A 0.9300 . ?
C22A C23A 1.373(9) . ?
C23A H23A 0.9300 . ?
C23A C24A 1.378(11) . ?
C24A H24A 0.9300 . ?
C24A C25A 1.368(10) . ?
C25A H25A 0.9300 . ?
C25A C26A 1.432(9) . ?

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
C2 C1 C10 122.3(8) . . ?
C6 C1 C2 118.8(7) . . ?
C6 C1 C10 118.9(8) . . ?
C1 C2 H2 120.1 . . ?
C3 C2 C1 119.9(8) . . ?
C3 C2 H2 120.1 . . ?
C2 C3 H3 119.6 . . ?
C2 C3 C4 120.8(9) . . ?
C4 C3 H3 119.6 . . ?
C3 C4 H4 120.0 . . ?
C5 C4 C3 120.0(9) . . ?
C5 C4 H4 120.0 . . ?
C4 C5 H5 118.9 . . ?
C4 C5 C6 122.1(9) . . ?
C6 C5 H5 118.9 . . ?
C5 C6 C1 118.5(9) . . ?
C7 C6 C1 119.3(8) . . ?
C7 C6 C5 122.2(9) . . ?
C6 C7 H7 119.0 . . ?
C8 C7 C6 122.0(9) . . ?
C8 C7 H7 119.0 . . ?
C7 C8 H8 120.9 . . ?
C7 C8 C9 118.3(9) . . ?
C9 C8 H8 120.9 . . ?
C8 C9 H9 118.9 . . ?
C10 C9 C8 122.2(8) . . ?
C10 C9 H9 118.9 . . ?
C1 C10 C11 120.1(8) . . ?
C9 C10 C1 119.1(8) . . ?
C9 C10 C11 120.8(8) . . ?
C10 C11 H11 118.4 . . ?
C12 C11 C10 123.3(8) . . ?
C12 C11 H11 118.4 . . ?
C11 C12 H12 117.6 . . ?
C11 C12 C13 124.7(8) . . ?
C13 C12 H12 117.6 . . ?
C14 C13 C12 119.3(9) . . ?
C26 C13 C12 123.0(8) . . ?
C26 C13 C14 117.6(9) . . ?
C15 C14 C13 121.3(10) . . ?
C19 C14 C13 119.7(10) . . ?
C19 C14 C15 118.9(10) . . ?
C14 C15 H15 119.4 . . ?
C16 C15 C14 121.3(10) . . ?
C16 C15 H15 119.4 . . ?
C15 C16 H16 120.3 . . ?
C15 C16 C17 119.5(12) . . ?
C17 C16 H16 120.3 . . ?
C16 C17 H17 119.2 . . ?
C18 C17 C16 121.6(11) . . ?
C18 C17 H17 119.2 . . ?
C17 C18 H18 119.9 . . ?
C17 C18 C19 120.1(11) . . ?
C19 C18 H18 119.9 . . ?
C14 C19 C18 118.5(11) . . ?
C20 C19 C14 121.0(9) . . ?
C20 C19 C18 120.5(11) . . ?
C19 C20 H20 119.7 . . ?
C19 C20 C21 120.6(9) . . ?
C21 C20 H20 119.7 . . ?
C20 C21 C26 117.6(10) . . ?
C22 C21 C20 120.8(10) . . ?
C22 C21 C26 121.5(10) . . ?
C21 C22 H22 120.0 . . ?
C23 C22 C21 119.9(10) . . ?
C23 C22 H22 120.0 . . ?
C22 C23 H23 120.2 . . ?
C22 C23 C24 119.7(11) . . ?
C24 C23 H23 120.2 . . ?
C23 C24 H24 119.2 . . ?
C25 C24 C23 121.7(10) . . ?
C25 C24 H24 119.2 . . ?
C24 C25 H25 119.1 . . ?
C24 C25 C26 121.8(10) . . ?
C26 C25 H25 119.1 . . ?
C13 C26 C21 123.0(9) . . ?
C13 C26 C25 121.7(9) . . ?
C21 C26 C25 115.2(10) . . ?
C2A C1A C6A 115.7(7) . . ?
C10A C1A C2A 123.5(7) . . ?
C10A C1A C6A 120.8(7) . . ?
C1A C2A H2A 118.8 . . ?
C3A C2A C1A 122.3(7) . . ?
C3A C2A H2A 118.8 . . ?
C2A C3A H3A 119.4 . . ?
C2A C3A C4A 121.2(8) . . ?
C4A C3A H3A 119.4 . . ?
C3A C4A H4A 120.3 . . ?
C5A C4A C3A 119.5(7) . . ?
C5A C4A H4A 120.3 . . ?
C4A C5A H5A 119.6 . . ?
C4A C5A C6A 120.9(8) . . ?
C6A C5A H5A 119.6 . . ?
C5A C6A C1A 120.5(7) . . ?
C5A C6A C7A 121.2(8) . . ?
C7A C6A C1A 118.3(7) . . ?
C6A C7A H7A 119.9 . . ?
C8A C7A C6A 120.2(7) . . ?
C8A C7A H7A 119.9 . . ?
C7A C8A H8A 119.7 . . ?
C7A C8A C9A 120.5(7) . . ?
C9A C8A H8A 119.7 . . ?
C8A C9A H9A 119.3 . . ?
C10A C9A C8A 121.4(7) . . ?
C10A C9A H9A 119.3 . . ?
C1A C10A C11A 122.2(7) . . ?
C9A C10A C1A 118.8(7) . . ?
C9A C10A C11A 119.0(7) . . ?
C10A C11A H11A 116.3 . . ?
C12A C11A C10A 127.5(7) . . ?
C12A C11A H11A 116.3 . . ?
C11A C12A H12A 116.6 . . ?
C11A C12A C13A 126.8(7) . . ?
C13A C12A H12A 116.6 . . ?
C14A C13A C12A 120.1(7) . . ?
C26A C13A C12A 121.2(7) . . ?
C26A C13A C14A 118.6(7) . . ?
C15A C14A C13A 122.5(7) . . ?
C15A C14A C19A 118.0(7) . . ?
C19A C14A C13A 119.4(7) . . ?
C14A C15A H15A 118.9 . . ?
C16A C15A C14A 122.1(8) . . ?
C16A C15A H15A 118.9 . . ?
C15A C16A H16A 119.9 . . ?
C15A C16A C17A 120.1(9) . . ?
C17A C16A H16A 119.9 . . ?
C16A C17A H17A 120.0 . . ?
C18A C17A C16A 120.0(8) . . ?
C18A C17A H17A 120.0 . . ?
C17A C18A H18A 119.0 . . ?
C17A C18A C19A 121.9(9) . . ?
C19A C18A H18A 119.0 . . ?
C14A C19A C18A 117.6(8) . . ?
C20A C19A C14A 120.1(7) . . ?
C20A C19A C18A 122.4(8) . . ?
C19A C20A H20A 119.8 . . ?
C21A C20A C19A 120.4(8) . . ?
C21A C20A H20A 119.8 . . ?
C20A C21A C22A 120.1(9) . . ?
C20A C21A C26A 121.2(8) . . ?
C26A C21A C22A 118.6(7) . . ?
C21A C22A H22A 119.7 . . ?
C23A C22A C21A 120.6(8) . . ?
C23A C22A H22A 119.7 . . ?
C22A C23A H23A 120.2 . . ?
C22A C23A C24A 119.6(8) . . ?
C24A C23A H23A 120.2 . . ?
C23A C24A H24A 118.7 . . ?
C25A C24A C23A 122.7(8) . . ?
C25A C24A H24A 118.7 . . ?
C24A C25A H25A 120.4 . . ?
C24A C25A C26A 119.2(8) . . ?
C26A C25A H25A 120.4 . . ?
C13A C26A C25A 120.8(7) . . ?
C21A C26A C13A 120.1(7) . . ?
C21A C26A C25A 119.1(7) . . ?

_olex2_submission_special_instructions 'No special instructions were received'
