# Electronic Supplementary Material (ESI) for Organic & Biomolecular Chemistry.
# This journal is © The Royal Society of Chemistry 2018

####################################################################### 
# 
# 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_170309_ar_875_122_05_sq
_database_code_depnum_ccdc_archive 'CCDC 1814444'
_audit_update_record             
;
2018-01-03 deposited with the CCDC.
2018-01-29 downloaded from the CCDC.
;
_audit_creation_date             2017-03-10
_audit_creation_method           
;
Olex2 1.2
(compiled 2017.03.02 svn.r3394 for OlexSys, GUI svn.r5324)
;
_shelx_SHELXL_version_number     2016/6
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C26 H19 Cl F3 N3'
_chemical_formula_sum            'C26 H19 Cl F3 N3'
_chemical_formula_weight         465.89
_chemical_absolute_configuration rmad
_chemical_melting_point          ?
_chemical_oxdiff_formula         'c10 h10 n2 o8 F1 Cl1'
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'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 '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      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_operation_xyz
'x, y, z'
'-x, y+1/2, -z'

_cell_length_a                   11.4760(7)
_cell_length_b                   10.3255(9)
_cell_length_c                   12.5157(12)
_cell_angle_alpha                90
_cell_angle_beta                 95.523(8)
_cell_angle_gamma                90
_cell_volume                     1476.2(2)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    2996
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      29.5921
_cell_measurement_theta_min      3.2042
_shelx_estimated_absorpt_T_max   0.964
_shelx_estimated_absorpt_T_min   0.926
_exptl_absorpt_coefficient_mu    0.163
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.76960
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.11 (release 16-05-2011 CrysAlis171 .NET)
(compiled May 16 2011,17:55:39)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            yellow
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.048
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       needle
_exptl_crystal_F_000             480
_exptl_crystal_size_max          0.48
_exptl_crystal_size_mid          0.28
_exptl_crystal_size_min          0.23
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0458
_diffrn_reflns_av_unetI/netI     0.0655
_diffrn_reflns_Laue_measured_fraction_full 0.988
_diffrn_reflns_Laue_measured_fraction_max 0.988
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            10501
_diffrn_reflns_point_group_measured_fraction_full 0.988
_diffrn_reflns_point_group_measured_fraction_max 0.988
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.347
_diffrn_reflns_theta_min         3.211
_diffrn_ambient_temperature      293.15
_diffrn_detector_area_resol_mean 10.3592
_diffrn_measured_fraction_theta_full 0.988
_diffrn_measured_fraction_theta_max 0.988
_diffrn_measurement_details      
;
#__ type_ start__ end____ width___ exp.time_
  1 omega  -86.00   14.00   1.0000  100.0000
omega____ theta____ kappa____ phi______ frames
    -      -12.7183  -38.0000  147.0000 100

#__ type_ start__ end____ width___ exp.time_
  2 omega  -41.00    6.00   1.0000  100.0000
omega____ theta____ kappa____ phi______ frames
    -      -12.7183  110.0000  -20.0000 47

#__ type_ start__ end____ width___ exp.time_
  3 omega  -26.00   43.00   1.0000  100.0000
omega____ theta____ kappa____ phi______ frames
    -      -12.7183   38.0000  -30.0000 69

#__ type_ start__ end____ width___ exp.time_
  4 omega  -87.00   15.00   1.0000  100.0000
omega____ theta____ kappa____ phi______ frames
    -      -12.7183  -77.0000   60.0000 102
;
_diffrn_measurement_device_type  'Xcalibur, Atlas, Gemini ultra'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_UB_11      0.0509702000
_diffrn_orient_matrix_UB_12      0.0251103000
_diffrn_orient_matrix_UB_13      -0.0202636000
_diffrn_orient_matrix_UB_21      -0.0134720000
_diffrn_orient_matrix_UB_22      0.0623239000
_diffrn_orient_matrix_UB_23      0.0192368000
_diffrn_orient_matrix_UB_31      0.0328928000
_diffrn_orient_matrix_UB_32      -0.0137951000
_diffrn_orient_matrix_UB_33      0.0496605000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'Enhance (Mo) X-ray Source'
_reflns_Friedel_coverage         0.887
_reflns_Friedel_fraction_full    0.989
_reflns_Friedel_fraction_max     0.989
_reflns_number_gt                3713
_reflns_number_total             5349
_reflns_odcompleteness_completeness 99.75
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     26.32
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _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       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.11 (release 16-05-2011 CrysAlis171 .NET)
(compiled May 16 2011,17:55:39)
;
_computing_data_collection       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.11 (release 16-05-2011 CrysAlis171 .NET)
(compiled May 16 2011,17:55:39)
;
_computing_data_reduction        
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.11 (release 16-05-2011 CrysAlis171 .NET)
(compiled May 16 2011,17:55:39)
;
_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    ?
_refine_diff_density_max         0.132
_refine_diff_density_min         -0.135
_refine_diff_density_rms         0.028
_refine_ls_abs_structure_details 
;
 Flack x determined using 1228 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.11(7)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.939
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     302
_refine_ls_number_reflns         5349
_refine_ls_number_restraints     2
_refine_ls_R_factor_all          0.0741
_refine_ls_R_factor_gt           0.0470
_refine_ls_restrained_S_all      0.939
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0427P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0917
_refine_ls_wR_factor_ref         0.1035
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups, All N(H) groups
 At 1.5 times of:
  All C(H,H,H,H) groups
2. Restrained distances
 N2-H2
 0.86 with sigma of 0.02
3.a Secondary CH2 refined with riding coordinates:
 C9(H9A,H9B)
3.b Aromatic/amide H refined with riding coordinates:
 N1(H1), N3(H3), C1(H1A), C3(H3A), C4(H4), C12(H12), C13(H13), C14(H14),
 C15(H15), C19(H19), C22(H22), C24(H24), C25(H25)
3.c Idealised Me refined as rotating group:
 C26(H26A,H26B,H26C)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     ?
_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
Cl1 Cl -0.31538(8) 0.85136(12) 0.51025(12) 0.0844(5) Uani 1 1 d . . . . .
F1 F 0.2878(2) 1.1004(2) 0.7031(2) 0.0708(7) Uani 1 1 d . . . . .
F2 F 0.3010(2) 0.9568(3) 0.8266(2) 0.0734(7) Uani 1 1 d . . . . .
F3 F 0.4567(2) 1.0321(3) 0.7674(2) 0.0720(7) Uani 1 1 d . . . . .
N1 N 0.1313(2) 0.9158(3) 0.5905(3) 0.0482(8) Uani 1 1 d . . . . .
H1 H 0.140368 0.994250 0.569857 0.058 Uiso 1 1 calc R . . . .
N2 N 0.4247(2) 0.7828(3) 0.6882(3) 0.0458(8) Uani 1 1 d D . . . .
N3 N 0.4686(3) 1.0561(3) 0.4306(3) 0.0539(8) Uani 1 1 d . . . . .
H3 H 0.507056 1.117630 0.403800 0.065 Uiso 1 1 calc R . . . .
C1 C -0.0848(3) 0.8905(4) 0.5460(3) 0.0536(11) Uani 1 1 d . . . . .
H1A H -0.098825 0.973072 0.517972 0.064 Uiso 1 1 calc R . . . .
C2 C -0.1728(3) 0.8032(4) 0.5526(3) 0.0540(11) Uani 1 1 d . . . . .
C3 C -0.1544(3) 0.6793(4) 0.5927(4) 0.0604(12) Uani 1 1 d . . . . .
H3A H -0.217271 0.622934 0.594920 0.072 Uiso 1 1 calc R . . . .
C4 C -0.0431(3) 0.6391(4) 0.6293(3) 0.0561(11) Uani 1 1 d . . . . .
H4 H -0.030511 0.555898 0.656438 0.067 Uiso 1 1 calc R . . . .
C5 C 0.0503(3) 0.7249(4) 0.6252(3) 0.0452(9) Uani 1 1 d . . . . .
C6 C 0.0275(3) 0.8495(4) 0.5833(3) 0.0437(9) Uani 1 1 d . . . . .
C7 C 0.2192(3) 0.8360(4) 0.6365(3) 0.0438(9) Uani 1 1 d . . . . .
C8 C 0.1731(3) 0.7186(4) 0.6586(3) 0.0446(9) Uani 1 1 d . . . . .
C9 C 0.2372(4) 0.6027(4) 0.7072(4) 0.0598(12) Uani 1 1 d . . . . .
H9A H 0.275389 0.559118 0.651494 0.072 Uiso 1 1 calc R . . . .
H9B H 0.180243 0.543121 0.732018 0.072 Uiso 1 1 calc R . . . .
C10 C 0.3278(3) 0.6316(4) 0.7995(3) 0.0543(11) Uani 1 1 d . . . . .
C11 C 0.4177(3) 0.7179(4) 0.7881(3) 0.0479(10) Uani 1 1 d . . . . .
C12 C 0.5050(4) 0.7354(5) 0.8699(4) 0.0725(14) Uani 1 1 d . . . . .
H12 H 0.564313 0.795165 0.862701 0.087 Uiso 1 1 calc R . . . .
C13 C 0.5039(6) 0.6627(6) 0.9638(4) 0.0909(18) Uani 1 1 d . . . . .
H13 H 0.564825 0.671931 1.017892 0.109 Uiso 1 1 calc R . . . .
C14 C 0.4171(6) 0.5804(6) 0.9772(4) 0.0949(18) Uani 1 1 d . . . . .
H14 H 0.416151 0.534617 1.041061 0.114 Uiso 1 1 calc R . . . .
C15 C 0.3276(4) 0.5633(5) 0.8946(4) 0.0741(14) Uani 1 1 d . . . . .
H15 H 0.267318 0.505345 0.903629 0.089 Uiso 1 1 calc R . . . .
C16 C 0.3430(3) 0.8870(4) 0.6514(3) 0.0433(9) Uani 1 1 d . . . . .
C17 C 0.3458(4) 0.9943(4) 0.7374(4) 0.0534(11) Uani 1 1 d . . . . .
C18 C 0.3809(3) 0.9387(4) 0.5489(3) 0.0410(9) Uani 1 1 d . . . . .
C19 C 0.4445(3) 1.0479(4) 0.5339(3) 0.0488(10) Uani 1 1 d . . . . .
H19 H 0.467818 1.107937 0.587112 0.059 Uiso 1 1 calc R . . . .
C20 C 0.4218(3) 0.9500(4) 0.3748(3) 0.0476(10) Uani 1 1 d . . . . .
C21 C 0.3658(3) 0.8737(4) 0.4466(3) 0.0439(9) Uani 1 1 d . . . . .
C22 C 0.3109(3) 0.7605(4) 0.4086(3) 0.0498(10) Uani 1 1 d . . . . .
H22 H 0.272097 0.708795 0.454636 0.060 Uiso 1 1 calc R . . . .
C23 C 0.3138(4) 0.7247(4) 0.3025(3) 0.0582(11) Uani 1 1 d . . . . .
C24 C 0.3711(4) 0.8028(5) 0.2344(4) 0.0649(12) Uani 1 1 d . . . . .
H24 H 0.373187 0.777316 0.163328 0.078 Uiso 1 1 calc R . . . .
C25 C 0.4249(4) 0.9162(5) 0.2679(3) 0.0612(12) Uani 1 1 d . . . . .
H25 H 0.461872 0.968403 0.220867 0.073 Uiso 1 1 calc R . . . .
C26 C 0.2588(4) 0.5981(5) 0.2614(4) 0.0787(14) Uani 1 1 d . . . . .
H26A H 0.318394 0.542298 0.238386 0.118 Uiso 1 1 calc GR . . . .
H26B H 0.201527 0.615394 0.202073 0.118 Uiso 1 1 calc GR . . . .
H26C H 0.221658 0.556711 0.317901 0.118 Uiso 1 1 calc GR . . . .
H2 H 0.493(3) 0.817(5) 0.686(4) 0.118 Uiso 1 1 d DR . . . .


_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
Cl1 C2 1.743(4) . ?
F1 C17 1.331(5) . ?
F2 C17 1.331(5) . ?
F3 C17 1.349(4) . ?
N1 H1 0.8600 . ?
N1 C6 1.369(4) . ?
N1 C7 1.384(4) . ?
N2 C11 1.428(5) . ?
N2 C16 1.472(4) . ?
N2 H2 0.86(3) . ?
N3 H3 0.8600 . ?
N3 C19 1.351(5) . ?
N3 C20 1.380(5) . ?
C1 H1A 0.9300 . ?
C1 C2 1.362(5) . ?
C1 C6 1.393(5) . ?
C2 C3 1.383(6) . ?
C3 H3A 0.9300 . ?
C3 C4 1.378(5) . ?
C4 H4 0.9300 . ?
C4 C5 1.396(5) . ?
C5 C6 1.404(5) . ?
C5 C8 1.432(5) . ?
C7 C8 1.362(5) . ?
C7 C16 1.509(5) . ?
C8 C9 1.502(5) . ?
C9 H9A 0.9700 . ?
C9 H9B 0.9700 . ?
C9 C10 1.508(5) . ?
C10 C11 1.382(6) . ?
C10 C15 1.384(6) . ?
C11 C12 1.373(5) . ?
C12 H12 0.9300 . ?
C12 C13 1.395(7) . ?
C13 H13 0.9300 . ?
C13 C14 1.333(8) . ?
C14 H14 0.9300 . ?
C14 C15 1.396(6) . ?
C15 H15 0.9300 . ?
C16 C17 1.543(5) . ?
C16 C18 1.493(5) . ?
C18 C19 1.366(5) . ?
C18 C21 1.441(5) . ?
C19 H19 0.9300 . ?
C20 C21 1.397(5) . ?
C20 C25 1.387(6) . ?
C21 C22 1.390(5) . ?
C22 H22 0.9300 . ?
C22 C23 1.381(5) . ?
C23 C24 1.385(6) . ?
C23 C26 1.520(6) . ?
C24 H24 0.9300 . ?
C24 C25 1.371(6) . ?
C25 H25 0.9300 . ?
C26 H26A 0.9600 . ?
C26 H26B 0.9600 . ?
C26 H26C 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
C6 N1 H1 125.5 . . ?
C6 N1 C7 109.0(3) . . ?
C7 N1 H1 125.5 . . ?
C11 N2 C16 121.9(3) . . ?
C11 N2 H2 111(4) . . ?
C16 N2 H2 104(4) . . ?
C19 N3 H3 125.4 . . ?
C19 N3 C20 109.2(3) . . ?
C20 N3 H3 125.4 . . ?
C2 C1 H1A 121.8 . . ?
C2 C1 C6 116.5(4) . . ?
C6 C1 H1A 121.8 . . ?
C1 C2 Cl1 118.2(3) . . ?
C1 C2 C3 123.1(3) . . ?
C3 C2 Cl1 118.7(3) . . ?
C2 C3 H3A 119.9 . . ?
C4 C3 C2 120.3(4) . . ?
C4 C3 H3A 119.9 . . ?
C3 C4 H4 120.4 . . ?
C3 C4 C5 119.1(4) . . ?
C5 C4 H4 120.4 . . ?
C4 C5 C6 118.6(3) . . ?
C4 C5 C8 134.3(4) . . ?
C6 C5 C8 107.1(3) . . ?
N1 C6 C1 129.8(4) . . ?
N1 C6 C5 107.7(3) . . ?
C1 C6 C5 122.5(3) . . ?
N1 C7 C16 118.9(3) . . ?
C8 C7 N1 109.4(3) . . ?
C8 C7 C16 131.7(3) . . ?
C5 C8 C9 125.7(3) . . ?
C7 C8 C5 106.9(3) . . ?
C7 C8 C9 127.3(3) . . ?
C8 C9 H9A 108.4 . . ?
C8 C9 H9B 108.4 . . ?
C8 C9 C10 115.3(3) . . ?
H9A C9 H9B 107.5 . . ?
C10 C9 H9A 108.4 . . ?
C10 C9 H9B 108.4 . . ?
C11 C10 C9 121.0(4) . . ?
C11 C10 C15 118.7(4) . . ?
C15 C10 C9 120.0(4) . . ?
C10 C11 N2 119.9(3) . . ?
C12 C11 N2 119.5(4) . . ?
C12 C11 C10 120.4(4) . . ?
C11 C12 H12 120.2 . . ?
C11 C12 C13 119.5(5) . . ?
C13 C12 H12 120.2 . . ?
C12 C13 H13 119.5 . . ?
C14 C13 C12 121.1(5) . . ?
C14 C13 H13 119.5 . . ?
C13 C14 H14 120.2 . . ?
C13 C14 C15 119.6(5) . . ?
C15 C14 H14 120.2 . . ?
C10 C15 C14 120.7(5) . . ?
C10 C15 H15 119.7 . . ?
C14 C15 H15 119.7 . . ?
N2 C16 C7 110.4(3) . . ?
N2 C16 C17 109.7(3) . . ?
N2 C16 C18 107.5(3) . . ?
C7 C16 C17 107.0(3) . . ?
C18 C16 C7 111.6(3) . . ?
C18 C16 C17 110.7(3) . . ?
F1 C17 F2 106.7(3) . . ?
F1 C17 F3 106.3(3) . . ?
F1 C17 C16 113.0(3) . . ?
F2 C17 F3 106.3(3) . . ?
F2 C17 C16 113.0(3) . . ?
F3 C17 C16 111.0(3) . . ?
C19 C18 C16 128.1(3) . . ?
C19 C18 C21 106.4(4) . . ?
C21 C18 C16 125.2(3) . . ?
N3 C19 C18 110.1(4) . . ?
N3 C19 H19 124.9 . . ?
C18 C19 H19 124.9 . . ?
N3 C20 C21 107.6(3) . . ?
N3 C20 C25 130.0(4) . . ?
C25 C20 C21 122.4(4) . . ?
C20 C21 C18 106.6(3) . . ?
C22 C21 C18 135.1(4) . . ?
C22 C21 C20 118.4(4) . . ?
C21 C22 H22 119.9 . . ?
C23 C22 C21 120.1(4) . . ?
C23 C22 H22 119.9 . . ?
C22 C23 C24 119.5(4) . . ?
C22 C23 C26 120.5(4) . . ?
C24 C23 C26 119.9(4) . . ?
C23 C24 H24 118.8 . . ?
C25 C24 C23 122.4(4) . . ?
C25 C24 H24 118.8 . . ?
C20 C25 H25 121.4 . . ?
C24 C25 C20 117.2(4) . . ?
C24 C25 H25 121.4 . . ?
C23 C26 H26A 109.5 . . ?
C23 C26 H26B 109.5 . . ?
C23 C26 H26C 109.5 . . ?
H26A C26 H26B 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?

_olex2_submission_special_instructions 'No special instructions were received'
