A simple multi-responsive system based on aldehyde functionalized amino-boranes.
Shi, Yong-Gang; Wang, Jun-Wei; Li, Haijun; Hu, Guo-Fei; Li, Xue; Mellerup, Soren K.; Wang, Nan; Peng, Tai; Wang, Suning; Chemical science 9 (2018) 1902–1911; doi:10.1039/c7sc03617e

data_1548590
_publ_section_title
;
 A simple multi-responsive system based on aldehyde functionalized
 amino-boranes.
;
_journal_issue                   7
_journal_name_full               'Chemical science'
_journal_page_first              1902
_journal_page_last               1911
_journal_paper_doi               10.1039/c7sc03617e
_journal_volume                  9
_journal_year                    2018
_chemical_formula_sum            'C39 H42 B N O'
_chemical_formula_weight         551.54
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2017-08-14 deposited with the CCDC.
2018-01-04 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 114.338(2)
_cell_angle_gamma                90
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_cell_length_b                   9.7146(4)
_cell_length_c                   18.3058(8)
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_cell_measurement_temperature    180(2)
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_cell_measurement_theta_min      2.37
_cell_volume                     6222.0(5)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
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_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_diffrn_ambient_temperature      180(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1461
_diffrn_reflns_av_unetI/netI     0.0675
_diffrn_reflns_Laue_measured_fraction_full 0.999
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_diffrn_reflns_limit_h_max       50
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_diffrn_reflns_limit_k_min       -12
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_diffrn_reflns_number            83774
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.915
_diffrn_reflns_theta_min         2.375
_exptl_absorpt_coefficient_mu    0.069
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_exptl_absorpt_correction_T_min  0.965
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            red
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_refine_ls_extinction_method     none
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_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.043
_refine_ls_R_factor_all          0.0991
_refine_ls_R_factor_gt           0.0596
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0500P)^2^+6.4242P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1320
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_reflns_number_gt                5010
_reflns_number_total             7432
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c7sc03617e2.cif
_cod_data_source_block           sy11
_cod_depositor_comments
'Adding full bibliography for 1548590--1548593.cif.'
_cod_database_code               1548590
_shelx_shelxl_version_number     2014/7
_shelx_estimated_absorpt_t_min   0.965
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_shelx_res_checksum              84277