# Electronic Supplementary Material (ESI) for Organic Chemistry Frontiers.
# This journal is © the Partner Organisations 2022

####################################################################### 
# 
# 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. 
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#######################################################################

data_sam1-6(low)
_database_code_depnum_ccdc_archive 'CCDC 2109330'
loop_
_audit_author_name
_audit_author_address
'chen peng'
;CCDC
Hong Kong
;
_audit_update_record             
;
2021-09-13 deposited with the CCDC.	2022-05-02 downloaded from the CCDC.
;
_audit_creation_date             2021-09-13
_audit_creation_method           
;
Olex2 1.5
(compiled 2021.08.20 svn.r13c46975 for OlexSys, GUI svn.r6396)
;
_shelx_SHELXL_version_number     2018/3
loop_
_audit_author_email
sckhau@cuhk.edu.hk
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C26 H33 N O2'
_chemical_formula_sum            'C26 H33 N O2'
_chemical_formula_weight         391.53
_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'
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'

_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'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   9.642(14)
_cell_length_b                   9.850(15)
_cell_length_c                   13.156(18)
_cell_angle_alpha                85.36(3)
_cell_angle_beta                 76.56(4)
_cell_angle_gamma                74.27(3)
_cell_volume                     1170(3)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    9890
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      27.108
_cell_measurement_theta_min      2.483
_shelx_estimated_absorpt_T_max   0.980
_shelx_estimated_absorpt_T_min   0.966
_exptl_absorpt_coefficient_mu    0.069
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.6785
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1153 before and 0.0754 after correction.
The Ratio of minimum to maximum transmission is 0.9100.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear light colourless'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.112
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             424
_exptl_crystal_size_max          0.5
_exptl_crystal_size_mid          0.4
_exptl_crystal_size_min          0.3
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0478
_diffrn_reflns_av_unetI/netI     0.0351
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            29741
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.245
_diffrn_reflns_theta_min         2.676
_diffrn_ambient_temperature      173.15
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'BRUKER D8VENTURE DIFFRACTOMETER'
_diffrn_measurement_method       'PHI & OMEGA SCAN'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_source_current           1.0
_diffrn_source_power             0.05
_diffrn_source_voltage           50.0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                2976
_reflns_number_total             4226
_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 V8.38A (Bruker, 2018)'
_computing_data_collection       'BRUKER D8VENTURE DIFFRACTOMETER'
_computing_data_reduction        'SAINT V8.38A (Bruker, 2018)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_refine_diff_density_max         0.844
_refine_diff_density_min         -0.534
_refine_diff_density_rms         0.068
_refine_ls_extinction_coef       0.09(2)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2018/3 (Sheldrick 2018)'
_refine_ls_goodness_of_fit_ref   1.065
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     319
_refine_ls_number_reflns         4226
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1483
_refine_ls_R_factor_gt           0.1196
_refine_ls_restrained_S_all      1.065
_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)+(0.1684P)²+1.6539P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.3217
_refine_ls_wR_factor_ref         0.3520
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Others
 Sof(C9')=Sof(H9'A)=Sof(H9'B)=Sof(H9'C)=Sof(C10')=Sof(H10D)=Sof(H10E)=
 Sof(H10F)=Sof(C11')=Sof(H11D)=Sof(H11E)=Sof(H11F)=1-FVAR(1)
 Sof(C9)=Sof(H9A)=Sof(H9B)=Sof(H9C)=Sof(C10)=Sof(H10A)=Sof(H10B)=Sof(H10C)=
 Sof(C11)=Sof(H11A)=Sof(H11B)=Sof(H11C)=FVAR(1)
 Sof(C16')=Sof(H16D)=Sof(H16E)=Sof(H16F)=Sof(C17')=Sof(H17D)=Sof(H17E)=
 Sof(H17F)=Sof(C18')=Sof(H18C)=Sof(H18D)=1-FVAR(2)
 Sof(C16)=Sof(H16A)=Sof(H16B)=Sof(H16C)=Sof(C17)=Sof(H17A)=Sof(H17B)=Sof(H17C)=
 Sof(C18)=Sof(H18A)=Sof(H18B)=FVAR(2)
3.a Secondary CH2 refined with riding coordinates:
 C18(H18A,H18B), C18'(H18C,H18D)
3.b Me refined with riding coordinates:
 C1(H1A,H1B,H1C), C2(H2A,H2B,H2C), C3(H3A,H3B,H3C), C9(H9A,H9B,H9C), C10(H10A,
 H10B,H10C), C11(H11A,H11B,H11C), C9'(H9'A,H9'B,H9'C), C10'(H10D,H10E,H10F),
 C11'(H11D,H11E,H11F), C16(H16A,H16B,H16C), C17(H17A,H17B,H17C), C16'(H16D,H16E,
 H16F), C17'(H17D,H17E,H17F)
3.c Aromatic/amide H refined with riding coordinates:
 C6(H6A), C12(H12A), C14(H14A), C22(H22A), C23(H23A), C25(H25A), C26(H26A)
;
_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
N1 N -0.0409(8) -0.2382(5) 0.7923(4) 0.0896(16) Uani 1 1 d . . . . .
O1 O 0.0362(9) -0.3585(5) 0.7772(5) 0.164(3) Uani 1 1 d . . . . .
O2 O -0.1539(8) -0.1977(6) 0.8563(5) 0.135(2) Uani 1 1 d . . . . .
C1 C 0.6065(13) 0.8995(14) 0.1254(6) 0.233(7) Uani 1 1 d . . . . .
H1A H 0.641011 0.837180 0.065180 0.349 Uiso 1 1 calc R U . . .
H1B H 0.519751 0.974316 0.115663 0.349 Uiso 1 1 calc R U . . .
H1C H 0.685277 0.941620 0.131599 0.349 Uiso 1 1 calc R U . . .
C2 C 0.7231(7) 0.7116(10) 0.2359(6) 0.143(3) Uani 1 1 d . . . . .
H2A H 0.703485 0.653656 0.299026 0.215 Uiso 1 1 calc R U . . .
H2B H 0.767523 0.650354 0.175333 0.215 Uiso 1 1 calc R U . . .
H2C H 0.791258 0.765975 0.243688 0.215 Uiso 1 1 calc R U . . .
C3 C 0.5121(8) 0.8971(8) 0.3201(5) 0.112(2) Uani 1 1 d . . . . .
H3A H 0.489857 0.830935 0.377393 0.169 Uiso 1 1 calc R U . . .
H3B H 0.587883 0.939070 0.332512 0.169 Uiso 1 1 calc R U . . .
H3C H 0.422358 0.971766 0.316576 0.169 Uiso 1 1 calc R U . . .
C4 C 0.5680(6) 0.8197(7) 0.2184(3) 0.0876(19) Uani 1 1 d . . . . .
C5 C 0.4638(4) 0.7296(5) 0.2097(3) 0.0625(12) Uani 1 1 d . . . . .
C6 C 0.3935(4) 0.7442(5) 0.1265(3) 0.0576(11) Uani 1 1 d . . . . .
H6A H 0.410614 0.812587 0.073230 0.069 Uiso 1 1 calc R U . . .
C7 C 0.2994(4) 0.6625(4) 0.1185(3) 0.0459(9) Uani 1 1 d . . . . .
C8 C 0.2237(4) 0.6810(4) 0.0260(3) 0.0507(10) Uani 1 1 d . . . . .
C9 C 0.3403(8) 0.6675(10) -0.0769(5) 0.076(2) Uani 0.670(7) 1 d . . P A 1
H9A H 0.402869 0.730898 -0.076746 0.113 Uiso 0.670(7) 1 calc R U P A 1
H9B H 0.401352 0.569965 -0.084176 0.113 Uiso 0.670(7) 1 calc R U P A 1
H9C H 0.290962 0.692843 -0.135672 0.113 Uiso 0.670(7) 1 calc R U P A 1
C10 C 0.1137(7) 0.8381(7) 0.0230(5) 0.0591(17) Uani 0.670(7) 1 d . . P A 1
H10A H 0.168323 0.908714 0.022822 0.089 Uiso 0.670(7) 1 calc R U P A 1
H10B H 0.074298 0.850050 -0.040432 0.089 Uiso 0.670(7) 1 calc R U P A 1
H10C H 0.031989 0.850097 0.084619 0.089 Uiso 0.670(7) 1 calc R U P A 1
C11 C 0.1270(8) 0.5834(8) 0.0260(5) 0.065(2) Uani 0.670(7) 1 d . . P A 1
H11A H 0.084074 0.603539 -0.035948 0.098 Uiso 0.670(7) 1 calc R U P A 1
H11B H 0.186569 0.485292 0.024657 0.098 Uiso 0.670(7) 1 calc R U P A 1
H11C H 0.047715 0.597859 0.089122 0.098 Uiso 0.670(7) 1 calc R U P A 1
C9' C 0.2639(16) 0.7856(15) -0.0402(11) 0.064(4) Uani 0.330(7) 1 d . . P A 2
H9'A H 0.371309 0.759793 -0.066201 0.096 Uiso 0.330(7) 1 calc R U P A 2
H9'B H 0.215394 0.797496 -0.099191 0.096 Uiso 0.330(7) 1 calc R U P A 2
H9'C H 0.233803 0.874328 -0.002365 0.096 Uiso 0.330(7) 1 calc R U P A 2
C10' C 0.0638(12) 0.7001(14) 0.0744(9) 0.053(3) Uani 0.330(7) 1 d . . P A 2
H10D H 0.050777 0.618322 0.119529 0.080 Uiso 0.330(7) 1 calc R U P A 2
H10E H 0.027045 0.785703 0.116140 0.080 Uiso 0.330(7) 1 calc R U P A 2
H10F H 0.008635 0.708871 0.019314 0.080 Uiso 0.330(7) 1 calc R U P A 2
C11' C 0.2847(15) 0.5296(13) -0.0283(8) 0.057(3) Uani 0.330(7) 1 d . . P A 2
H11D H 0.253972 0.457736 0.021125 0.086 Uiso 0.330(7) 1 calc R U P A 2
H11E H 0.244502 0.532555 -0.090563 0.086 Uiso 0.330(7) 1 calc R U P A 2
H11F H 0.392751 0.506101 -0.048454 0.086 Uiso 0.330(7) 1 calc R U P A 2
C12 C 0.2770(4) 0.5623(4) 0.1966(3) 0.0446(9) Uani 1 1 d . . . . .
H12A H 0.214077 0.504699 0.192156 0.054 Uiso 1 1 calc R U . . .
C13 C 0.3448(4) 0.5440(4) 0.2815(3) 0.0472(9) Uani 1 1 d . . . . .
C14 C 0.4367(4) 0.6289(5) 0.2864(3) 0.0541(10) Uani 1 1 d . . . . .
H14A H 0.482661 0.617701 0.344202 0.065 Uiso 1 1 calc R U . . .
C15 C 0.3207(4) 0.4322(4) 0.3684(3) 0.0564(11) Uani 1 1 d . . . . .
C16 C 0.4602(7) 0.3231(7) 0.3865(5) 0.0584(18) Uani 0.670(7) 1 d . . P B 1
H16A H 0.433044 0.257468 0.442889 0.088 Uiso 0.670(7) 1 calc R U P B 1
H16B H 0.510375 0.270692 0.322248 0.088 Uiso 0.670(7) 1 calc R U P B 1
H16C H 0.526540 0.371269 0.406026 0.088 Uiso 0.670(7) 1 calc R U P B 1
C17 C 0.2458(8) 0.5105(6) 0.4787(4) 0.0573(17) Uani 0.670(7) 1 d . . P B 1
H17A H 0.155233 0.582275 0.472178 0.086 Uiso 0.670(7) 1 calc R U P B 1
H17B H 0.221948 0.441122 0.532976 0.086 Uiso 0.670(7) 1 calc R U P B 1
H17C H 0.314948 0.555608 0.497744 0.086 Uiso 0.670(7) 1 calc R U P B 1
C18 C 0.2058(7) 0.3504(8) 0.3577(4) 0.0492(16) Uani 0.670(7) 1 d . . P B 1
H18A H 0.115691 0.420025 0.344810 0.059 Uiso 0.670(7) 1 calc R U P B 1
H18B H 0.247800 0.289996 0.295577 0.059 Uiso 0.670(7) 1 calc R U P B 1
C16' C 0.4101(16) 0.2956(12) 0.2885(11) 0.064(4) Uani 0.330(7) 1 d . . P B 2
H16D H 0.516666 0.286122 0.274362 0.096 Uiso 0.330(7) 1 calc R U P B 2
H16E H 0.389088 0.208686 0.322049 0.096 Uiso 0.330(7) 1 calc R U P B 2
H16F H 0.376681 0.312518 0.222625 0.096 Uiso 0.330(7) 1 calc R U P B 2
C17' C 0.4099(18) 0.4365(15) 0.4364(10) 0.068(4) Uani 0.330(7) 1 d . . P B 2
H17D H 0.512344 0.422232 0.397409 0.101 Uiso 0.330(7) 1 calc R U P B 2
H17E H 0.376478 0.528395 0.470087 0.101 Uiso 0.330(7) 1 calc R U P B 2
H17F H 0.403729 0.361722 0.489893 0.101 Uiso 0.330(7) 1 calc R U P B 2
C18' C 0.1714(14) 0.4471(15) 0.3890(10) 0.055(3) Uani 0.330(7) 1 d . . P B 2
H18C H 0.132175 0.467883 0.324668 0.066 Uiso 0.330(7) 1 calc R U P B 2
H18D H 0.117019 0.521277 0.440764 0.066 Uiso 0.330(7) 1 calc R U P B 2
C19 C 0.1650(6) 0.2660(8) 0.4439(4) 0.101(2) Uani 1 1 d . . . . .
C20 C 0.1344(5) 0.1827(7) 0.5080(3) 0.0839(17) Uani 1 1 d . . . . .
C21 C 0.0959(5) 0.0775(5) 0.5807(3) 0.0603(11) Uani 1 1 d . . . . .
C22 C 0.1822(6) -0.0689(8) 0.5775(5) 0.101(2) Uani 1 1 d . . . . .
H22A H 0.271578 -0.097490 0.526512 0.122 Uiso 1 1 calc R U . . .
C23 C 0.1339(8) -0.1662(6) 0.6488(5) 0.0949(18) Uani 1 1 d . . . . .
H23A H 0.190108 -0.261830 0.647310 0.114 Uiso 1 1 calc R U . . .
C24 C 0.0112(7) -0.1261(5) 0.7178(4) 0.0734(14) Uani 1 1 d . . . . .
C25 C -0.0720(6) 0.0080(4) 0.7256(3) 0.0653(12) Uani 1 1 d . . . . .
H25A H -0.159783 0.031812 0.778677 0.078 Uiso 1 1 calc R U . . .
C26 C -0.0312(5) 0.1115(4) 0.6572(3) 0.0608(11) Uani 1 1 d . . . . .
H26A H -0.090830 0.205855 0.663094 0.073 Uiso 1 1 calc R U . . .


_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
N1 O1 1.220(7) . ?
N1 O2 1.203(7) . ?
N1 C24 1.527(7) . ?
C1 H1A 0.9800 . ?
C1 H1B 0.9800 . ?
C1 H1C 0.9800 . ?
C1 C4 1.430(8) . ?
C2 H2A 0.9800 . ?
C2 H2B 0.9800 . ?
C2 H2C 0.9800 . ?
C2 C4 1.637(11) . ?
C3 H3A 0.9800 . ?
C3 H3B 0.9800 . ?
C3 H3C 0.9800 . ?
C3 C4 1.507(8) . ?
C4 C5 1.538(5) . ?
C5 C6 1.393(6) . ?
C5 C14 1.389(6) . ?
C6 H6A 0.9500 . ?
C6 C7 1.392(5) . ?
C7 C8 1.532(5) . ?
C7 C12 1.387(5) . ?
C8 C9 1.535(7) . ?
C8 C10 1.625(8) . ?
C8 C11 1.511(7) . ?
C8 C9' 1.373(12) . ?
C8 C10' 1.491(12) . ?
C8 C11' 1.607(12) . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 H9C 0.9800 . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C9' H9'A 0.9800 . ?
C9' H9'B 0.9800 . ?
C9' H9'C 0.9800 . ?
C10' H10D 0.9800 . ?
C10' H10E 0.9800 . ?
C10' H10F 0.9800 . ?
C11' H11D 0.9800 . ?
C11' H11E 0.9800 . ?
C11' H11F 0.9800 . ?
C12 H12A 0.9500 . ?
C12 C13 1.396(5) . ?
C13 C14 1.388(5) . ?
C13 C15 1.544(6) . ?
C14 H14A 0.9500 . ?
C15 C16 1.532(7) . ?
C15 C17 1.617(7) . ?
C15 C18 1.573(7) . ?
C15 C16' 1.684(13) . ?
C15 C17' 1.388(12) . ?
C15 C18' 1.371(13) . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C18 H18A 0.9900 . ?
C18 H18B 0.9900 . ?
C18 C19 1.397(7) . ?
C16' H16D 0.9800 . ?
C16' H16E 0.9800 . ?
C16' H16F 0.9800 . ?
C17' H17D 0.9800 . ?
C17' H17E 0.9800 . ?
C17' H17F 0.9800 . ?
C18' H18C 0.9900 . ?
C18' H18D 0.9900 . ?
C18' C19 1.881(14) . ?
C19 C20 1.172(7) . ?
C20 C21 1.418(7) . ?
C21 C22 1.455(8) . ?
C21 C26 1.373(6) . ?
C22 H22A 0.9500 . ?
C22 C23 1.381(9) . ?
C23 H23A 0.9500 . ?
C23 C24 1.298(8) . ?
C24 C25 1.345(7) . ?
C25 H25A 0.9500 . ?
C25 C26 1.381(6) . ?
C26 H26A 0.9500 . ?

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
O1 N1 C24 115.3(7) . . ?
O2 N1 O1 128.4(7) . . ?
O2 N1 C24 116.3(5) . . ?
H1A C1 H1B 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?
C4 C1 H1A 109.5 . . ?
C4 C1 H1B 109.5 . . ?
C4 C1 H1C 109.5 . . ?
H2A C2 H2B 109.5 . . ?
H2A C2 H2C 109.5 . . ?
H2B C2 H2C 109.5 . . ?
C4 C2 H2A 109.5 . . ?
C4 C2 H2B 109.5 . . ?
C4 C2 H2C 109.5 . . ?
H3A C3 H3B 109.5 . . ?
H3A C3 H3C 109.5 . . ?
H3B C3 H3C 109.5 . . ?
C4 C3 H3A 109.5 . . ?
C4 C3 H3B 109.5 . . ?
C4 C3 H3C 109.5 . . ?
C1 C4 C2 105.8(7) . . ?
C1 C4 C3 117.6(7) . . ?
C1 C4 C5 113.5(4) . . ?
C3 C4 C2 102.0(5) . . ?
C3 C4 C5 109.4(4) . . ?
C5 C4 C2 107.5(5) . . ?
C6 C5 C4 122.6(4) . . ?
C14 C5 C4 120.0(4) . . ?
C14 C5 C6 117.4(3) . . ?
C5 C6 H6A 118.7 . . ?
C7 C6 C5 122.6(4) . . ?
C7 C6 H6A 118.7 . . ?
C6 C7 C8 121.4(4) . . ?
C12 C7 C6 117.8(3) . . ?
C12 C7 C8 120.8(3) . . ?
C7 C8 C9 109.7(4) . . ?
C7 C8 C10 111.2(3) . . ?
C7 C8 C11' 103.7(5) . . ?
C9 C8 C10 105.8(5) . . ?
C11 C8 C7 115.8(4) . . ?
C11 C8 C9 109.6(5) . . ?
C11 C8 C10 104.2(4) . . ?
C9' C8 C7 109.6(6) . . ?
C9' C8 C10' 118.0(8) . . ?
C9' C8 C11' 111.8(8) . . ?
C10' C8 C7 105.0(5) . . ?
C10' C8 C11' 107.8(7) . . ?
C8 C9 H9A 109.5 . . ?
C8 C9 H9B 109.5 . . ?
C8 C9 H9C 109.5 . . ?
H9A C9 H9B 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C8 C10 H10A 109.5 . . ?
C8 C10 H10B 109.5 . . ?
C8 C10 H10C 109.5 . . ?
H10A C10 H10B 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C8 C11 H11A 109.5 . . ?
C8 C11 H11B 109.5 . . ?
C8 C11 H11C 109.5 . . ?
H11A C11 H11B 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C8 C9' H9'A 109.5 . . ?
C8 C9' H9'B 109.5 . . ?
C8 C9' H9'C 109.5 . . ?
H9'A C9' H9'B 109.5 . . ?
H9'A C9' H9'C 109.5 . . ?
H9'B C9' H9'C 109.5 . . ?
C8 C10' H10D 109.5 . . ?
C8 C10' H10E 109.5 . . ?
C8 C10' H10F 109.5 . . ?
H10D C10' H10E 109.5 . . ?
H10D C10' H10F 109.5 . . ?
H10E C10' H10F 109.5 . . ?
C8 C11' H11D 109.5 . . ?
C8 C11' H11E 109.5 . . ?
C8 C11' H11F 109.5 . . ?
H11D C11' H11E 109.5 . . ?
H11D C11' H11F 109.5 . . ?
H11E C11' H11F 109.5 . . ?
C7 C12 H12A 119.2 . . ?
C7 C12 C13 121.7(3) . . ?
C13 C12 H12A 119.2 . . ?
C12 C13 C15 121.9(3) . . ?
C14 C13 C12 118.4(4) . . ?
C14 C13 C15 119.8(3) . . ?
C5 C14 H14A 118.9 . . ?
C13 C14 C5 122.1(3) . . ?
C13 C14 H14A 118.9 . . ?
C13 C15 C17 109.1(3) . . ?
C13 C15 C18 114.7(3) . . ?
C13 C15 C16' 93.6(5) . . ?
C16 C15 C13 115.9(4) . . ?
C16 C15 C17 105.5(4) . . ?
C16 C15 C18 107.8(4) . . ?
C18 C15 C17 102.6(4) . . ?
C17' C15 C13 106.9(6) . . ?
C17' C15 C16' 107.2(9) . . ?
C18' C15 C13 103.5(5) . . ?
C18' C15 C16' 110.3(9) . . ?
C18' C15 C17' 129.3(10) . . ?
C15 C16 H16A 109.5 . . ?
C15 C16 H16B 109.5 . . ?
C15 C16 H16C 109.5 . . ?
H16A C16 H16B 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C15 C17 H17A 109.5 . . ?
C15 C17 H17B 109.5 . . ?
C15 C17 H17C 109.5 . . ?
H17A C17 H17B 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C15 C18 H18A 108.4 . . ?
C15 C18 H18B 108.4 . . ?
H18A C18 H18B 107.5 . . ?
C19 C18 C15 115.3(4) . . ?
C19 C18 H18A 108.4 . . ?
C19 C18 H18B 108.4 . . ?
C15 C16' H16D 109.5 . . ?
C15 C16' H16E 109.5 . . ?
C15 C16' H16F 109.5 . . ?
H16D C16' H16E 109.5 . . ?
H16D C16' H16F 109.5 . . ?
H16E C16' H16F 109.5 . . ?
C15 C17' H17D 109.5 . . ?
C15 C17' H17E 109.5 . . ?
C15 C17' H17F 109.5 . . ?
H17D C17' H17E 109.5 . . ?
H17D C17' H17F 109.5 . . ?
H17E C17' H17F 109.5 . . ?
C15 C18' H18C 111.8 . . ?
C15 C18' H18D 111.8 . . ?
C15 C18' C19 99.9(8) . . ?
H18C C18' H18D 109.5 . . ?
C19 C18' H18C 111.8 . . ?
C19 C18' H18D 111.8 . . ?
C20 C19 C18 172.1(7) . . ?
C20 C19 C18' 156.0(8) . . ?
C19 C20 C21 176.5(6) . . ?
C20 C21 C22 123.5(5) . . ?
C26 C21 C20 119.6(4) . . ?
C26 C21 C22 116.9(5) . . ?
C21 C22 H22A 120.1 . . ?
C23 C22 C21 119.9(5) . . ?
C23 C22 H22A 120.1 . . ?
C22 C23 H23A 120.2 . . ?
C24 C23 C22 119.5(5) . . ?
C24 C23 H23A 120.2 . . ?
C23 C24 N1 117.8(5) . . ?
C23 C24 C25 123.3(5) . . ?
C25 C24 N1 118.9(5) . . ?
C24 C25 H25A 119.7 . . ?
C24 C25 C26 120.6(5) . . ?
C26 C25 H25A 119.7 . . ?
C21 C26 C25 119.8(4) . . ?
C21 C26 H26A 120.1 . . ?
C25 C26 H26A 120.1 . . ?

_olex2_submission_special_instructions 'No special instructions were received'
