# Electronic Supplementary Material (ESI) for New Journal of Chemistry.
# This journal is © The Royal Society of Chemistry and the Centre National de la Recherche Scientifique 2021

####################################################################### 
# 
# 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_gjp-sic
_database_code_depnum_ccdc_archive 'CCDC 2062598'
loop_
_audit_author_name
_audit_author_address
'subash Sahoo'
;Panjab University Chandigarh
India
;
_audit_update_record             
;
2021-02-11 deposited with the CCDC.	2021-07-23 downloaded from the CCDC.
;
_audit_creation_date             2020-12-03
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.07.31 svn.rc2a77460 for OlexSys, GUI svn.r6145)
;
_shelx_SHELXL_version_number     2017/1
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_formula_moiety         'C30 H32.5 N3 O4 Si'
_chemical_formula_sum            'C30 H32.50 N3 O4 Si'
_chemical_formula_weight         527.18
_chemical_melting_point          ?
_exptl_crystal_description       rod
_exptl_crystal_colour            colorless
_diffrn_ambient_temperature      293(2)
_chemical_oxdiff_formula         'Si C H N O'
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'
N N 0.0061 0.0033 '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'
Si Si 0.0817 0.0704 '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           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
_chemical_absolute_configuration ?
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   9.8540(5)
_cell_length_b                   12.4096(9)
_cell_length_c                   13.1516(6)
_cell_angle_alpha                64.575(6)
_cell_angle_beta                 71.386(5)
_cell_angle_gamma                85.694(5)
_cell_volume                     1372.88(16)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    8992
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      26.5060
_cell_measurement_theta_min      3.3240
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    0.126
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.93349
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.39.46 (Rigaku Oxford Diffraction, 2018)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_density_diffrn    1.275
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_F_000             559
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.06
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0975
_diffrn_reflns_av_unetI/netI     0.0790
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.936
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            19002
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.936
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.434
_diffrn_reflns_theta_min         3.240
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean ?
_diffrn_detector_type            HyPix3000
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.936
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω     13.00  40.00   0.50   15.00    --   -9.95  69.00 136.00   54
  2  ω    -55.00 -30.00   0.50   15.00    --   -9.95 -69.00   3.00   50
  3  ω      8.00  65.00   0.50   15.00    --   10.22  69.00 136.00  114
  4  ω    -54.00  18.00   0.50   15.00    --   10.22 -69.00   3.00  144
  5  ω    -57.00 -15.00   0.50   15.00    --   -9.95 125.00   0.00   84
  6  ω    -58.00 -33.00   0.50   15.00    --   -9.95 125.00 -90.00   50
  7  ω    -62.00 -36.00   0.50   15.00    --   -9.95 -38.00-150.00   52
  8  ω    -35.00  55.00   0.50   15.00    --   -9.95  77.00 -90.00  180
  9  ω    -57.00  -6.00   0.50   15.00    --   -9.95 125.00-180.00  102
 10  ω    -28.00  -3.00   0.50   15.00    --   -9.95  57.00-180.00   50
 11  ω     23.00  53.00   0.50   15.00    --   -9.95  57.00-180.00   60
 12  ω    -34.00   1.00   0.50   15.00    --   10.22 119.00 137.29   70
 13  ω    -19.00  37.00   0.50   15.00    --   10.22 -99.00-150.00  112
 14  ω     -4.00  41.00   0.50   15.00    --   10.22 -99.00 -30.00   90
 15  ω    -60.00  21.00   0.50   15.00    --   10.22 -19.00  30.00  162
 16  ω    -29.00  -4.00   0.50   15.00    --   10.22 120.00  52.63   50
 17  ω    -37.00  -6.00   0.50   15.00    --   10.22 127.00-155.70   62
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  
'SuperNova, Single source at offset/far, HyPix3000'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0049603000
_diffrn_orient_matrix_UB_12      -0.0622070000
_diffrn_orient_matrix_UB_13      0.0163341000
_diffrn_orient_matrix_UB_21      -0.0664112000
_diffrn_orient_matrix_UB_22      -0.0119617000
_diffrn_orient_matrix_UB_23      0.0462366000
_diffrn_orient_matrix_UB_31      -0.0369364000
_diffrn_orient_matrix_UB_32      0.0036821000
_diffrn_orient_matrix_UB_33      -0.0395523000
_diffrn_oxdiff_ac3_digest_frames 
;
01b026395e5ccdd876ea83eef132fb965701486578d
;
_diffrn_oxdiff_ac3_digest_hkl    
;
01fab681411278391f62b7b7f4c512fdd404d7
;
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'SuperNova (Mo) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                3521
_reflns_number_total             5863
_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.
 
 _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 1.171.39.46 (Rigaku OD, 2018)'
_computing_data_collection       'CrysAlisPro 1.171.39.46 (Rigaku OD, 2018)'
_computing_data_reduction        'CrysAlisPro 1.171.39.46 (Rigaku OD, 2018)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2017/1 (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         0.269
_refine_diff_density_min         -0.378
_refine_diff_density_rms         0.064
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.100
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     370
_refine_ls_number_reflns         5863
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1104
_refine_ls_R_factor_gt           0.0713
_refine_ls_restrained_S_all      1.100
_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)+(0.1193P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1893
_refine_ls_wR_factor_ref         0.2352
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
2. Rigid body (RIGU) restrains
 C2A, C3A, C5A
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 C2B, C3B, C5B
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
3. Others
 Fixed Sof: C2A(0.5) H2AA(0.5) H2AB(0.5) C2B(0.5) H2BA(0.5) H2BB(0.5) C3A(0.6)
 H3AA(0.6) H3AB(0.6) C3B(0.4) H3BA(0.4) H3BB(0.4) C5A(0.5) H5AA(0.5) H5AB(0.5)
 C5B(0.5) H5B(0.5)
4.a Secondary CH2 refined with riding coordinates:
 C8(H8A,H8B), C9(H9A,H9B), C7(H7A,H7B), C17(H17A,H17B), C4(H4A,H4B), C6(H6A,
 H6B), C1(H1A,H1B), C2A(H2AA,H2AB), C2B(H2BA,H2BB), C3A(H3AA,H3AB), C3B(H3BA,
 H3BB), C5A(H5AA,H5AB)
4.b Aromatic/amide H refined with riding coordinates:
 C10(H10), C16(H16), C13(H13), C12(H12), C15(H15), C28(H28), C22(H22),
 C27(H27), C25(H25), C26(H26), C23(H23), C20(H20), C19(H19), C5B(H5B)
;
_atom_sites_solution_hydrogens   geom
_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
Si1 Si 0.90439(8) 0.17965(7) 0.26708(6) 0.0494(3) Uani 1 1 d . . . . .
O4 O 0.6580(2) 0.6586(2) 0.72858(16) 0.0652(6) Uani 1 1 d . . . . .
O3 O 0.9294(3) 0.21446(18) 0.12666(16) 0.0741(7) Uani 1 1 d . . . . .
N2 N 0.9309(3) 0.5738(2) 0.25842(18) 0.0527(6) Uani 1 1 d . . . . .
O1 O 1.0435(2) 0.1522(2) 0.31596(19) 0.0791(7) Uani 1 1 d . . . . .
O2 O 0.7461(2) 0.1166(2) 0.36539(18) 0.0816(7) Uani 1 1 d . . . . .
N1 N 0.9316(3) 0.0002(2) 0.2754(2) 0.0604(6) Uani 1 1 d . . . . .
C11 C 0.7679(3) 0.6118(2) 0.4185(2) 0.0439(6) Uani 1 1 d . . . . .
C10 C 0.8076(3) 0.5939(2) 0.3092(2) 0.0490(7) Uani 1 1 d . . . . .
H10 H 0.736222 0.597764 0.275763 0.059 Uiso 1 1 calc R . . . .
C14 C 0.6866(3) 0.6432(3) 0.6272(2) 0.0501(7) Uani 1 1 d . . . . .
C8 C 0.9949(3) 0.4299(2) 0.1704(2) 0.0502(7) Uani 1 1 d . . . . .
H8A H 1.078188 0.414393 0.197456 0.060 Uiso 1 1 calc R . . . .
H8B H 1.022460 0.425496 0.094646 0.060 Uiso 1 1 calc R . . . .
C16 C 0.8693(3) 0.6180(2) 0.4692(2) 0.0507(7) Uani 1 1 d . . . . .
H16 H 0.965582 0.611885 0.432969 0.061 Uiso 1 1 calc R . . . .
C24 C 0.4201(3) 0.7493(2) 1.2050(2) 0.0486(7) Uani 1 1 d . . . . .
C13 C 0.5849(3) 0.6381(3) 0.5776(2) 0.0553(7) Uani 1 1 d . . . . .
H13 H 0.488689 0.644865 0.613467 0.066 Uiso 1 1 calc R . . . .
C29 C 0.4846(3) 0.8473(3) 1.2001(2) 0.0532(7) Uani 1 1 d . . . . .
C12 C 0.6270(3) 0.6228(3) 0.4736(2) 0.0525(7) Uani 1 1 d . . . . .
H12 H 0.557873 0.620013 0.440257 0.063 Uiso 1 1 calc R . . . .
C9 C 0.9538(3) 0.5552(3) 0.1518(2) 0.0565(7) Uani 1 1 d . . . . .
H9A H 1.029312 0.612362 0.086627 0.068 Uiso 1 1 calc R . . . .
H9B H 0.866649 0.569488 0.130105 0.068 Uiso 1 1 calc R . . . .
C15 C 0.8294(3) 0.6332(3) 0.5720(2) 0.0532(7) Uani 1 1 d . . . . .
H15 H 0.898764 0.636764 0.604848 0.064 Uiso 1 1 calc R . . . .
C28 C 0.4439(3) 0.8748(3) 1.2976(3) 0.0622(8) Uani 1 1 d . . . . .
H28 H 0.487681 0.941765 1.292219 0.075 Uiso 1 1 calc R . . . .
C7 C 0.8774(3) 0.3333(3) 0.2586(2) 0.0579(7) Uani 1 1 d . . . . .
H7A H 0.789146 0.358352 0.240143 0.070 Uiso 1 1 calc R . . . .
H7B H 0.863271 0.328707 0.336888 0.070 Uiso 1 1 calc R . . . .
C22 C 0.5899(3) 0.7216(3) 1.0282(2) 0.0567(7) Uani 1 1 d . . . . .
H22 H 0.668037 0.739990 1.044520 0.068 Uiso 1 1 calc R . . . .
C27 C 0.3411(3) 0.8050(3) 1.4008(2) 0.0628(8) Uani 1 1 d . . . . .
H27 H 0.314780 0.823392 1.465687 0.075 Uiso 1 1 calc R . . . .
C21 C 0.4528(3) 0.7191(2) 1.1013(2) 0.0514(7) Uani 1 1 d . . . . .
C18 C 0.4988(3) 0.6714(3) 0.9036(2) 0.0565(7) Uani 1 1 d . . . . .
C25 C 0.3155(3) 0.6801(3) 1.3104(2) 0.0570(7) Uani 1 1 d . . . . .
H25 H 0.269898 0.613665 1.316441 0.068 Uiso 1 1 calc R . . . .
C26 C 0.2777(3) 0.7072(3) 1.4065(2) 0.0615(8) Uani 1 1 d . . . . .
H26 H 0.207875 0.658407 1.476285 0.074 Uiso 1 1 calc R . . . .
C23 C 0.6132(3) 0.6973(3) 0.9307(2) 0.0591(8) Uani 1 1 d . . . . .
H23 H 0.706548 0.698296 0.883196 0.071 Uiso 1 1 calc R . . . .
N3 N 0.6838(3) 0.9913(3) 1.0157(3) 0.0893(9) Uani 1 1 d . . . . .
C30 C 0.5953(3) 0.9272(3) 1.0950(3) 0.0647(8) Uani 1 1 d . . . . .
C17 C 0.5131(3) 0.6499(3) 0.7967(2) 0.0672(8) Uani 1 1 d . . . . .
H17A H 0.470204 0.570948 0.822245 0.081 Uiso 1 1 calc R . . . .
H17B H 0.461814 0.708242 0.748156 0.081 Uiso 1 1 calc R . . . .
C20 C 0.3388(3) 0.6889(3) 1.0759(3) 0.0690(9) Uani 1 1 d . . . . .
H20 H 0.245425 0.683271 1.125658 0.083 Uiso 1 1 calc R . . . .
C19 C 0.3630(3) 0.6671(3) 0.9774(3) 0.0739(10) Uani 1 1 d . . . . .
H19 H 0.285058 0.649050 0.960737 0.089 Uiso 1 1 calc R . . . .
C4 C 0.7037(4) -0.0053(3) 0.4123(3) 0.0874(12) Uani 1 1 d . . . . .
H4A H 0.637319 -0.015531 0.375831 0.105 Uiso 1 1 calc R . . A 2
H4B H 0.655267 -0.035857 0.497202 0.105 Uiso 1 1 calc R . . A 2
C6 C 0.9483(4) 0.1319(3) 0.0770(3) 0.0815(10) Uani 1 1 d . . . . .
H6A H 0.885959 0.148637 0.028660 0.098 Uiso 1 1 calc R . . B 2
H6B H 1.046712 0.141286 0.025716 0.098 Uiso 1 1 calc R . . B 2
C1 C 1.1205(4) 0.0491(4) 0.3292(3) 0.0911(11) Uani 1 1 d . . . . .
H1A H 1.094808 -0.005595 0.412807 0.109 Uiso 1 1 calc R . . C 2
H1B H 1.222549 0.071681 0.300664 0.109 Uiso 1 1 calc R . . C 2
C2A C 1.0131(8) -0.0573(6) 0.3578(7) 0.0667(18) Uani 0.5 1 d . U P D 1
H2AA H 1.065042 -0.121515 0.343190 0.080 Uiso 0.5 1 calc R . P D 1
H2AB H 0.950662 -0.089065 0.439583 0.080 Uiso 0.5 1 calc R . P D 1
C2B C 1.0909(12) -0.0115(9) 0.2640(9) 0.116(4) Uani 0.5 1 d . U P D 2
H2BA H 1.110801 -0.095092 0.297741 0.140 Uiso 0.5 1 calc R . P D 2
H2BB H 1.149783 0.025815 0.181167 0.140 Uiso 0.5 1 calc R . P D 2
C3A C 0.7803(6) -0.0561(5) 0.3260(5) 0.0685(14) Uani 0.6 1 d . U P D 1
H3AA H 0.736613 -0.034864 0.264057 0.082 Uiso 0.6 1 calc R . P D 1
H3AB H 0.778892 -0.142597 0.366053 0.082 Uiso 0.6 1 calc R . P D 1
C3B C 0.8451(12) -0.0794(8) 0.3868(7) 0.083(3) Uani 0.4 1 d . U P D 2
H3BA H 0.892522 -0.098559 0.446145 0.100 Uiso 0.4 1 calc R . P D 2
H3BB H 0.819729 -0.152723 0.385572 0.100 Uiso 0.4 1 calc R . P D 2
C5A C 1.0017(10) 0.0093(10) 0.1558(9) 0.077(3) Uani 0.5 1 d . U P D 1
H5AA H 0.970452 -0.057417 0.146723 0.092 Uiso 0.5 1 calc R . P D 1
H5AB H 1.105370 0.013214 0.135905 0.092 Uiso 0.5 1 calc R . P D 1
C5B C 0.9174(13) 0.0138(10) 0.1646(9) 0.099(4) Uani 0.5 1 d . U P D 2
H5B H 0.890590 -0.049054 0.152709 0.119 Uiso 0.5 1 calc R . P D 2


_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 O3 1.6425(18) . ?
Si1 O1 1.647(2) . ?
Si1 O2 1.656(2) . ?
Si1 N1 2.182(3) . ?
Si1 C7 1.866(3) . ?
O4 C14 1.366(3) . ?
O4 C17 1.405(3) . ?
O3 C6 1.407(3) . ?
N2 C10 1.251(3) . ?
N2 C9 1.463(3) . ?
O1 C1 1.411(4) . ?
O2 C4 1.404(4) . ?
N1 C2A 1.461(6) . ?
N1 C2B 1.530(10) . ?
N1 C3A 1.509(6) . ?
N1 C3B 1.391(8) . ?
N1 C5A 1.459(10) . ?
N1 C5B 1.445(9) . ?
C11 C10 1.473(3) . ?
C11 C16 1.389(3) . ?
C11 C12 1.373(3) . ?
C10 H10 0.9300 . ?
C14 C13 1.377(4) . ?
C14 C15 1.387(4) . ?
C8 H8A 0.9700 . ?
C8 H8B 0.9700 . ?
C8 C9 1.510(4) . ?
C8 C7 1.511(4) . ?
C16 H16 0.9300 . ?
C16 C15 1.373(3) . ?
C24 C29 1.381(4) . ?
C24 C21 1.499(3) . ?
C24 C25 1.385(4) . ?
C13 H13 0.9300 . ?
C13 C12 1.388(3) . ?
C29 C28 1.396(3) . ?
C29 C30 1.451(4) . ?
C12 H12 0.9300 . ?
C9 H9A 0.9700 . ?
C9 H9B 0.9700 . ?
C15 H15 0.9300 . ?
C28 H28 0.9300 . ?
C28 C27 1.365(4) . ?
C7 H7A 0.9700 . ?
C7 H7B 0.9700 . ?
C22 H22 0.9300 . ?
C22 C21 1.379(3) . ?
C22 C23 1.386(3) . ?
C27 H27 0.9300 . ?
C27 C26 1.370(4) . ?
C21 C20 1.387(4) . ?
C18 C23 1.382(4) . ?
C18 C17 1.503(3) . ?
C18 C19 1.368(4) . ?
C25 H25 0.9300 . ?
C25 C26 1.376(3) . ?
C26 H26 0.9300 . ?
C23 H23 0.9300 . ?
N3 C30 1.137(4) . ?
C17 H17A 0.9700 . ?
C17 H17B 0.9700 . ?
C20 H20 0.9300 . ?
C20 C19 1.379(4) . ?
C19 H19 0.9300 . ?
C4 H4A 0.9700 . ?
C4 H4B 0.9700 . ?
C4 C3A 1.501(6) . ?
C4 C3B 1.635(11) . ?
C6 H6A 0.9700 . ?
C6 H6B 0.9700 . ?
C6 C5A 1.593(11) . ?
C6 C5B 1.400(12) . ?
C1 H1A 0.9700 . ?
C1 H1B 0.9700 . ?
C1 C2A 1.592(7) . ?
C1 C2B 1.461(8) . ?
C2A H2AA 0.9700 . ?
C2A H2AB 0.9700 . ?
C2B H2BA 0.9700 . ?
C2B H2BB 0.9700 . ?
C3A H3AA 0.9700 . ?
C3A H3AB 0.9700 . ?
C3B H3BA 0.9700 . ?
C3B H3BB 0.9700 . ?
C5A H5AA 0.9700 . ?
C5A H5AB 0.9700 . ?
C5B H5B 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
O3 Si1 O1 119.35(13) . . ?
O3 Si1 O2 118.41(12) . . ?
O3 Si1 N1 81.88(9) . . ?
O3 Si1 C7 97.40(11) . . ?
O1 Si1 O2 117.03(12) . . ?
O1 Si1 N1 83.09(10) . . ?
O1 Si1 C7 98.29(12) . . ?
O2 Si1 N1 82.14(11) . . ?
O2 Si1 C7 97.19(12) . . ?
C7 Si1 N1 178.61(11) . . ?
C14 O4 C17 117.3(2) . . ?
C6 O3 Si1 125.05(19) . . ?
C10 N2 C9 118.3(2) . . ?
C1 O1 Si1 123.7(2) . . ?
C4 O2 Si1 124.2(2) . . ?
C2A N1 Si1 105.0(3) . . ?
C2A N1 C3A 111.6(4) . . ?
C2B N1 Si1 101.1(4) . . ?
C3A N1 Si1 104.1(2) . . ?
C3B N1 Si1 107.3(4) . . ?
C3B N1 C2B 111.3(6) . . ?
C3B N1 C5B 124.2(7) . . ?
C5A N1 Si1 109.2(5) . . ?
C5A N1 C2A 114.7(5) . . ?
C5A N1 C3A 111.4(5) . . ?
C5B N1 Si1 103.3(4) . . ?
C5B N1 C2B 107.0(6) . . ?
C16 C11 C10 122.0(2) . . ?
C12 C11 C10 120.1(2) . . ?
C12 C11 C16 117.9(2) . . ?
N2 C10 C11 124.4(2) . . ?
N2 C10 H10 117.8 . . ?
C11 C10 H10 117.8 . . ?
O4 C14 C13 124.7(2) . . ?
O4 C14 C15 116.1(2) . . ?
C13 C14 C15 119.3(2) . . ?
H8A C8 H8B 107.6 . . ?
C9 C8 H8A 108.7 . . ?
C9 C8 H8B 108.7 . . ?
C9 C8 C7 114.2(2) . . ?
C7 C8 H8A 108.7 . . ?
C7 C8 H8B 108.7 . . ?
C11 C16 H16 119.5 . . ?
C15 C16 C11 121.0(2) . . ?
C15 C16 H16 119.5 . . ?
C29 C24 C21 123.3(2) . . ?
C29 C24 C25 117.2(2) . . ?
C25 C24 C21 119.5(3) . . ?
C14 C13 H13 120.2 . . ?
C14 C13 C12 119.5(3) . . ?
C12 C13 H13 120.2 . . ?
C24 C29 C28 120.7(3) . . ?
C24 C29 C30 122.7(2) . . ?
C28 C29 C30 116.5(3) . . ?
C11 C12 C13 121.9(2) . . ?
C11 C12 H12 119.1 . . ?
C13 C12 H12 119.1 . . ?
N2 C9 C8 111.8(2) . . ?
N2 C9 H9A 109.2 . . ?
N2 C9 H9B 109.2 . . ?
C8 C9 H9A 109.2 . . ?
C8 C9 H9B 109.2 . . ?
H9A C9 H9B 107.9 . . ?
C14 C15 H15 119.8 . . ?
C16 C15 C14 120.5(2) . . ?
C16 C15 H15 119.8 . . ?
C29 C28 H28 119.5 . . ?
C27 C28 C29 121.1(3) . . ?
C27 C28 H28 119.5 . . ?
Si1 C7 H7A 107.9 . . ?
Si1 C7 H7B 107.9 . . ?
C8 C7 Si1 117.44(19) . . ?
C8 C7 H7A 107.9 . . ?
C8 C7 H7B 107.9 . . ?
H7A C7 H7B 107.2 . . ?
C21 C22 H22 119.5 . . ?
C21 C22 C23 121.1(2) . . ?
C23 C22 H22 119.5 . . ?
C28 C27 H27 120.8 . . ?
C28 C27 C26 118.4(3) . . ?
C26 C27 H27 120.8 . . ?
C22 C21 C24 123.7(2) . . ?
C22 C21 C20 118.0(2) . . ?
C20 C21 C24 118.2(2) . . ?
C23 C18 C17 124.3(2) . . ?
C19 C18 C23 118.2(2) . . ?
C19 C18 C17 117.5(2) . . ?
C24 C25 H25 119.2 . . ?
C26 C25 C24 121.6(3) . . ?
C26 C25 H25 119.2 . . ?
C27 C26 C25 121.0(3) . . ?
C27 C26 H26 119.5 . . ?
C25 C26 H26 119.5 . . ?
C22 C23 H23 119.7 . . ?
C18 C23 C22 120.5(3) . . ?
C18 C23 H23 119.7 . . ?
N3 C30 C29 177.1(3) . . ?
O4 C17 C18 111.1(2) . . ?
O4 C17 H17A 109.4 . . ?
O4 C17 H17B 109.4 . . ?
C18 C17 H17A 109.4 . . ?
C18 C17 H17B 109.4 . . ?
H17A C17 H17B 108.0 . . ?
C21 C20 H20 119.8 . . ?
C19 C20 C21 120.4(3) . . ?
C19 C20 H20 119.8 . . ?
C18 C19 C20 121.8(3) . . ?
C18 C19 H19 119.1 . . ?
C20 C19 H19 119.1 . . ?
O2 C4 H4A 109.8 . . ?
O2 C4 H4B 109.8 . . ?
O2 C4 C3A 110.6(3) . . ?
O2 C4 C3B 109.5(4) . . ?
H4A C4 H4B 108.2 . . ?
C3B C4 H4A 109.8 . . ?
C3B C4 H4B 109.8 . . ?
O3 C6 H6A 109.3 . . ?
O3 C6 H6B 109.3 . . ?
O3 C6 C5A 112.0(4) . . ?
H6A C6 H6B 107.9 . . ?
C5B C6 O3 111.8(4) . . ?
C5B C6 H6A 109.3 . . ?
C5B C6 H6B 109.3 . . ?
O1 C1 H1A 109.2 . . ?
O1 C1 H1B 109.2 . . ?
O1 C1 C2A 108.3(3) . . ?
O1 C1 C2B 111.8(4) . . ?
H1A C1 H1B 107.9 . . ?
C2B C1 H1A 109.2 . . ?
C2B C1 H1B 109.2 . . ?
N1 C2A C1 103.0(4) . . ?
N1 C2A H2AA 111.2 . . ?
N1 C2A H2AB 111.2 . . ?
C1 C2A H2AA 111.2 . . ?
C1 C2A H2AB 111.2 . . ?
H2AA C2A H2AB 109.1 . . ?
N1 C2B H2BA 110.5 . . ?
N1 C2B H2BB 110.5 . . ?
C1 C2B N1 106.1(5) . . ?
C1 C2B H2BA 110.5 . . ?
C1 C2B H2BB 110.5 . . ?
H2BA C2B H2BB 108.7 . . ?
N1 C3A H3AA 111.0 . . ?
N1 C3A H3AB 111.0 . . ?
C4 C3A N1 104.0(4) . . ?
C4 C3A H3AA 111.0 . . ?
C4 C3A H3AB 111.0 . . ?
H3AA C3A H3AB 109.0 . . ?
N1 C3B C4 102.9(6) . . ?
N1 C3B H3BA 111.2 . . ?
N1 C3B H3BB 111.2 . . ?
C4 C3B H3BA 111.2 . . ?
C4 C3B H3BB 111.2 . . ?
H3BA C3B H3BB 109.1 . . ?
N1 C5A C6 101.7(6) . . ?
N1 C5A H5AA 111.4 . . ?
N1 C5A H5AB 111.4 . . ?
C6 C5A H5AA 111.4 . . ?
C6 C5A H5AB 111.4 . . ?
H5AA C5A H5AB 109.3 . . ?
N1 C5B H5B 123.6 . . ?
C6 C5B N1 112.7(7) . . ?
C6 C5B H5B 123.6 . . ?

_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.247
_oxdiff_exptl_absorpt_empirical_full_min 0.726

