# Supplementary Information (SI) for Organic & Biomolecular Chemistry.
# This journal is © The Royal Society of Chemistry 2024

####################################################################### 
# 
# 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_exp_13212
_database_code_depnum_ccdc_archive 'CCDC 2369409'
loop_
_audit_author_name
_audit_author_address
'Ximei Zhao'
;Ludong University
China
;
_audit_update_record             
;
2024-07-10 deposited with the CCDC.	2024-09-11 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C26 H37 N3 O2 S Si'
_chemical_formula_weight         483.73

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'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.3331 0.5567 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.2541 0.3302 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      orthorhombic
_space_group_IT_number           29
_space_group_name_H-M_alt        'P c a 21'
_space_group_name_Hall           'P 2c -2ac'

_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, -y, z+1/2'
'x+1/2, -y, z'
'-x+1/2, y, z+1/2'

_cell_length_a                   19.9676(6)
_cell_length_b                   7.9854(2)
_cell_length_c                   16.9860(6)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     2708.40(14)
_cell_formula_units_Z            4
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    5123
_cell_measurement_theta_min      5.1020
_cell_measurement_theta_max      70.3420

_exptl_crystal_description       BLOCK
_exptl_crystal_colour            WHITE
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.186
_exptl_crystal_F_000             1040
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.120
_exptl_crystal_size_mid          0.120
_exptl_crystal_size_min          0.110
_exptl_absorpt_coefficient_mu    1.688
_shelx_estimated_absorpt_T_min   0.823
_shelx_estimated_absorpt_T_max   0.836
_exptl_absorpt_correction_T_min  0.61399
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      293(2)
_diffrn_radiation_wavelength     1.54184
_diffrn_radiation_type           CuK\a
_diffrn_source                   'fine-focus sealed X-ray tube'
_diffrn_measurement_device_type  'Xcalibur, Eos, Gemini'
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            16945
_diffrn_reflns_av_unetI/netI     0.0548
_diffrn_reflns_av_R_equivalents  0.0578
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_k_max       6
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_theta_min         5.139
_diffrn_reflns_theta_max         67.240
_diffrn_reflns_theta_full        67.240
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.991
_diffrn_reflns_point_group_measured_fraction_full 0.991
_reflns_number_total             4818
_reflns_number_gt                3758
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.911
_reflns_Friedel_fraction_max     0.982
_reflns_Friedel_fraction_full    0.982

_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 1.171.42.49 (Rigaku OD, 2022)'
_computing_cell_refinement       'CrysAlisPro 1.171.42.49 (Rigaku OD, 2022)'
_computing_data_reduction        'CrysAlisPro 1.171.42.49 (Rigaku OD, 2022)'
_computing_structure_solution    'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_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)+(0.0616P)²+0.2034P] 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     'SHELXL-2018/3 (Sheldrick 2018)'
_refine_ls_extinction_coef       0.0027(4)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_abs_structure_details 
;
 Flack x determined using 1363 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.005(14)
_chemical_absolute_configuration RM
_refine_ls_number_reflns         4818
_refine_ls_number_parameters     307
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.0663
_refine_ls_R_factor_gt           0.0477
_refine_ls_wR_factor_ref         0.1408
_refine_ls_wR_factor_gt          0.1196
_refine_ls_goodness_of_fit_ref   1.066
_refine_ls_restrained_S_all      1.066
_refine_ls_shift/su_max          0.005
_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
Si1 Si 0.63421(7) 0.33453(17) 0.32530(9) 0.0535(4) Uani 1 1 d . . . . .
S1 S 0.52141(6) 0.18165(19) 0.55322(9) 0.0678(4) Uani 1 1 d . . . . .
N1 N 0.5747(2) 0.3365(5) 0.5296(3) 0.0605(11) Uani 1 1 d . . . . .
N2 N 0.6886(2) 0.3467(5) 0.5394(3) 0.0546(10) Uani 1 1 d . . . . .
N3 N 0.7428(4) 0.7530(7) 0.5097(5) 0.112(2) Uani 1 1 d . . . . .
O1 O 0.5175(2) 0.0683(6) 0.4882(3) 0.0857(14) Uani 1 1 d . . . . .
O2 O 0.4622(2) 0.2610(7) 0.5801(3) 0.0973(16) Uani 1 1 d . . . . .
C1 C 0.5596(3) 0.0787(7) 0.6328(3) 0.0603(13) Uani 1 1 d . . . . .
C2 C 0.5412(3) 0.1183(8) 0.7088(4) 0.0713(16) Uani 1 1 d . . . . .
H2 H 0.508301 0.198287 0.718237 0.086 Uiso 1 1 calc R U . . .
C3 C 0.5726(3) 0.0369(9) 0.7714(4) 0.0781(18) Uani 1 1 d . . . . .
H3 H 0.559327 0.060203 0.822688 0.094 Uiso 1 1 calc R U . . .
C4 C 0.6227(3) -0.0769(8) 0.7582(4) 0.0734(16) Uani 1 1 d . . . . .
C5 C 0.6405(3) -0.1125(8) 0.6814(4) 0.0789(18) Uani 1 1 d . . . . .
H5 H 0.674234 -0.190063 0.671784 0.095 Uiso 1 1 calc R U . . .
C6 C 0.6095(3) -0.0357(7) 0.6191(4) 0.0691(15) Uani 1 1 d . . . . .
H6 H 0.622173 -0.061183 0.567773 0.083 Uiso 1 1 calc R U . . .
C7 C 0.6572(4) -0.1633(10) 0.8275(6) 0.107(2) Uani 1 1 d . . . . .
H7A H 0.668217 -0.276243 0.813257 0.160 Uiso 1 1 calc R U . . .
H7B H 0.627558 -0.164172 0.872057 0.160 Uiso 1 1 calc R U . . .
H7C H 0.697337 -0.103588 0.840784 0.160 Uiso 1 1 calc R U . . .
C8 C 0.5752(4) 0.4721(8) 0.5903(4) 0.086(2) Uani 1 1 d . . . . .
H8A H 0.592326 0.428526 0.638910 0.128 Uiso 1 1 calc R U . . .
H8B H 0.530370 0.512416 0.598191 0.128 Uiso 1 1 calc R U . . .
H8C H 0.603108 0.562485 0.572644 0.128 Uiso 1 1 calc R U . . .
C9 C 0.6398(2) 0.2947(6) 0.4987(3) 0.0505(11) Uani 1 1 d . . . . .
C10 C 0.6416(3) 0.2074(6) 0.4205(3) 0.0541(12) Uani 1 1 d . . . . .
H10A H 0.605721 0.125520 0.420327 0.065 Uiso 1 1 calc R U . . .
H10B H 0.683340 0.145447 0.417867 0.065 Uiso 1 1 calc R U . . .
C11 C 0.6026(4) 0.1731(9) 0.2543(4) 0.088(2) Uani 1 1 d . . . . .
H11 H 0.564971 0.119583 0.281597 0.105 Uiso 1 1 calc R U . . .
C12 C 0.6524(5) 0.0298(11) 0.2383(6) 0.118(3) Uani 1 1 d . . . . .
H12A H 0.630449 -0.057183 0.209067 0.177 Uiso 1 1 calc R U . . .
H12B H 0.668195 -0.014644 0.287483 0.177 Uiso 1 1 calc R U . . .
H12C H 0.689638 0.071792 0.208545 0.177 Uiso 1 1 calc R U . . .
C13 C 0.5718(5) 0.2455(14) 0.1784(5) 0.122(3) Uani 1 1 d . . . . .
H13A H 0.605911 0.301927 0.148689 0.184 Uiso 1 1 calc R U . . .
H13B H 0.537024 0.323468 0.191789 0.184 Uiso 1 1 calc R U . . .
H13C H 0.553310 0.156211 0.147421 0.184 Uiso 1 1 calc R U . . .
C14 C 0.7172(3) 0.4339(8) 0.2999(3) 0.0687(15) Uani 1 1 d . . . . .
H14 H 0.727369 0.514276 0.341806 0.082 Uiso 1 1 calc R U . . .
C15 C 0.7769(3) 0.3087(10) 0.2961(5) 0.093(2) Uani 1 1 d . . . . .
H15A H 0.768236 0.225856 0.256366 0.140 Uiso 1 1 calc R U . . .
H15B H 0.782086 0.254712 0.346192 0.140 Uiso 1 1 calc R U . . .
H15C H 0.817221 0.368232 0.283233 0.140 Uiso 1 1 calc R U . . .
C16 C 0.7132(4) 0.5339(10) 0.2224(4) 0.102(2) Uani 1 1 d . . . . .
H16A H 0.755245 0.588898 0.213083 0.153 Uiso 1 1 calc R U . . .
H16B H 0.678297 0.616060 0.226224 0.153 Uiso 1 1 calc R U . . .
H16C H 0.703724 0.458963 0.179640 0.153 Uiso 1 1 calc R U . . .
C17 C 0.5696(3) 0.5095(9) 0.3279(5) 0.090(2) Uani 1 1 d . . . . .
H17 H 0.568429 0.556045 0.274492 0.109 Uiso 1 1 calc R U . . .
C18 C 0.4984(3) 0.4455(11) 0.3446(6) 0.109(3) Uani 1 1 d . . . . .
H18A H 0.495114 0.411236 0.398607 0.164 Uiso 1 1 calc R U . . .
H18B H 0.488778 0.351852 0.310955 0.164 Uiso 1 1 calc R U . . .
H18C H 0.466696 0.533429 0.334561 0.164 Uiso 1 1 calc R U . . .
C19 C 0.5905(6) 0.6574(9) 0.3830(5) 0.115(3) Uani 1 1 d . . . . .
H19A H 0.563936 0.754250 0.370800 0.172 Uiso 1 1 calc R U . . .
H19B H 0.636963 0.682745 0.375069 0.172 Uiso 1 1 calc R U . . .
H19C H 0.583244 0.625893 0.436840 0.172 Uiso 1 1 calc R U . . .
C20 C 0.7559(3) 0.3207(6) 0.5166(3) 0.0559(12) Uani 1 1 d . . . . .
C21 C 0.7966(3) 0.4596(7) 0.5022(3) 0.0600(13) Uani 1 1 d . . . . .
C22 C 0.8631(3) 0.4410(9) 0.4855(4) 0.0782(18) Uani 1 1 d . . . . .
H22 H 0.889423 0.534777 0.475500 0.094 Uiso 1 1 calc R U . . .
C23 C 0.8916(3) 0.2826(10) 0.4835(5) 0.086(2) Uani 1 1 d . . . . .
H23 H 0.936680 0.269112 0.471489 0.103 Uiso 1 1 calc R U . . .
C24 C 0.8520(3) 0.1454(9) 0.4994(4) 0.0804(18) Uani 1 1 d . . . . .
H24 H 0.870822 0.038944 0.499073 0.097 Uiso 1 1 calc R U . . .
C25 C 0.7851(3) 0.1638(7) 0.5157(4) 0.0683(15) Uani 1 1 d . . . . .
H25 H 0.759210 0.069693 0.526370 0.082 Uiso 1 1 calc R U . . .
C26 C 0.7666(3) 0.6249(8) 0.5069(4) 0.0756(17) 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
Si1 C11 1.875(7) . ?
Si1 C14 1.887(6) . ?
Si1 C17 1.902(6) . ?
Si1 C10 1.915(5) . ?
S1 O2 1.417(5) . ?
S1 O1 1.430(5) . ?
S1 N1 1.680(4) . ?
S1 C1 1.756(6) . ?
N1 C9 1.442(6) . ?
N1 C8 1.495(7) . ?
N2 C9 1.265(6) . ?
N2 C20 1.414(7) . ?
N3 C26 1.129(8) . ?
C1 C6 1.372(8) . ?
C1 C2 1.380(8) . ?
C2 C3 1.394(9) . ?
C2 H2 0.9300 . ?
C3 C4 1.370(9) . ?
C3 H3 0.9300 . ?
C4 C5 1.381(9) . ?
C4 C7 1.529(10) . ?
C5 C6 1.371(9) . ?
C5 H5 0.9300 . ?
C6 H6 0.9300 . ?
C7 H7A 0.9600 . ?
C7 H7B 0.9600 . ?
C7 H7C 0.9600 . ?
C8 H8A 0.9600 . ?
C8 H8B 0.9600 . ?
C8 H8C 0.9600 . ?
C9 C10 1.501(7) . ?
C10 H10A 0.9700 . ?
C10 H10B 0.9700 . ?
C11 C12 1.541(10) . ?
C11 C13 1.541(10) . ?
C11 H11 0.9800 . ?
C12 H12A 0.9600 . ?
C12 H12B 0.9600 . ?
C12 H12C 0.9600 . ?
C13 H13A 0.9600 . ?
C13 H13B 0.9600 . ?
C13 H13C 0.9600 . ?
C14 C16 1.541(9) . ?
C14 C15 1.558(8) . ?
C14 H14 0.9800 . ?
C15 H15A 0.9600 . ?
C15 H15B 0.9600 . ?
C15 H15C 0.9600 . ?
C16 H16A 0.9600 . ?
C16 H16B 0.9600 . ?
C16 H16C 0.9600 . ?
C17 C18 1.539(10) . ?
C17 C19 1.563(11) . ?
C17 H17 0.9800 . ?
C18 H18A 0.9600 . ?
C18 H18B 0.9600 . ?
C18 H18C 0.9600 . ?
C19 H19A 0.9600 . ?
C19 H19B 0.9600 . ?
C19 H19C 0.9600 . ?
C20 C25 1.383(7) . ?
C20 C21 1.397(7) . ?
C21 C22 1.366(8) . ?
C21 C26 1.452(9) . ?
C22 C23 1.387(10) . ?
C22 H22 0.9300 . ?
C23 C24 1.378(10) . ?
C23 H23 0.9300 . ?
C24 C25 1.371(9) . ?
C24 H24 0.9300 . ?
C25 H25 0.9300 . ?

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
C11 Si1 C14 116.0(3) . . ?
C11 Si1 C17 106.9(4) . . ?
C14 Si1 C17 106.9(3) . . ?
C11 Si1 C10 101.8(3) . . ?
C14 Si1 C10 110.4(3) . . ?
C17 Si1 C10 115.0(3) . . ?
O2 S1 O1 119.1(3) . . ?
O2 S1 N1 106.0(3) . . ?
O1 S1 N1 108.4(2) . . ?
O2 S1 C1 108.9(3) . . ?
O1 S1 C1 108.8(3) . . ?
N1 S1 C1 104.7(2) . . ?
C9 N1 C8 114.4(5) . . ?
C9 N1 S1 119.2(3) . . ?
C8 N1 S1 111.9(4) . . ?
C9 N2 C20 122.2(4) . . ?
C6 C1 C2 120.3(6) . . ?
C6 C1 S1 119.8(5) . . ?
C2 C1 S1 119.9(5) . . ?
C1 C2 C3 119.1(6) . . ?
C1 C2 H2 120.4 . . ?
C3 C2 H2 120.4 . . ?
C4 C3 C2 120.9(6) . . ?
C4 C3 H3 119.6 . . ?
C2 C3 H3 119.6 . . ?
C3 C4 C5 118.6(6) . . ?
C3 C4 C7 120.2(7) . . ?
C5 C4 C7 121.2(7) . . ?
C6 C5 C4 121.4(6) . . ?
C6 C5 H5 119.3 . . ?
C4 C5 H5 119.3 . . ?
C5 C6 C1 119.7(6) . . ?
C5 C6 H6 120.2 . . ?
C1 C6 H6 120.2 . . ?
C4 C7 H7A 109.5 . . ?
C4 C7 H7B 109.5 . . ?
H7A C7 H7B 109.5 . . ?
C4 C7 H7C 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
N1 C8 H8A 109.5 . . ?
N1 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
N1 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
N2 C9 N1 114.8(5) . . ?
N2 C9 C10 128.2(5) . . ?
N1 C9 C10 116.8(4) . . ?
C9 C10 Si1 119.9(4) . . ?
C9 C10 H10A 107.3 . . ?
Si1 C10 H10A 107.3 . . ?
C9 C10 H10B 107.3 . . ?
Si1 C10 H10B 107.3 . . ?
H10A C10 H10B 106.9 . . ?
C12 C11 C13 112.9(8) . . ?
C12 C11 Si1 114.0(5) . . ?
C13 C11 Si1 114.5(6) . . ?
C12 C11 H11 104.7 . . ?
C13 C11 H11 104.7 . . ?
Si1 C11 H11 104.7 . . ?
C11 C12 H12A 109.5 . . ?
C11 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
C11 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C11 C13 H13A 109.5 . . ?
C11 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
C11 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
C16 C14 C15 109.6(5) . . ?
C16 C14 Si1 111.6(5) . . ?
C15 C14 Si1 114.3(4) . . ?
C16 C14 H14 107.0 . . ?
C15 C14 H14 107.0 . . ?
Si1 C14 H14 107.0 . . ?
C14 C15 H15A 109.5 . . ?
C14 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
C14 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C14 C16 H16A 109.5 . . ?
C14 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
C14 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C18 C17 C19 112.7(7) . . ?
C18 C17 Si1 112.8(5) . . ?
C19 C17 Si1 112.9(6) . . ?
C18 C17 H17 105.9 . . ?
C19 C17 H17 105.9 . . ?
Si1 C17 H17 105.9 . . ?
C17 C18 H18A 109.5 . . ?
C17 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
C17 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C17 C19 H19A 109.5 . . ?
C17 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
C17 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C25 C20 C21 118.1(5) . . ?
C25 C20 N2 122.5(5) . . ?
C21 C20 N2 119.0(5) . . ?
C22 C21 C20 121.1(5) . . ?
C22 C21 C26 120.8(5) . . ?
C20 C21 C26 118.1(5) . . ?
C21 C22 C23 120.1(6) . . ?
C21 C22 H22 119.9 . . ?
C23 C22 H22 119.9 . . ?
C24 C23 C22 119.0(6) . . ?
C24 C23 H23 120.5 . . ?
C22 C23 H23 120.5 . . ?
C25 C24 C23 120.9(6) . . ?
C25 C24 H24 119.6 . . ?
C23 C24 H24 119.6 . . ?
C24 C25 C20 120.7(6) . . ?
C24 C25 H25 119.7 . . ?
C20 C25 H25 119.7 . . ?
N3 C26 C21 179.2(9) . . ?

_refine_diff_density_max         0.242
_refine_diff_density_min         -0.191
_refine_diff_density_rms         0.038

