Synthesis and gas separation performance of intrinsically microporous polyimides derived from sterically hindered binaphthalenetetracarboxylic dianhydride
Hu, Xiaofan; Mu, Hongliang; Miao, Jie; Lu, Yao; Wang, Xianwei; Meng, Xiangsheng; Wang, Zhen; Yan, Jingling; Polymer Chemistry 11 (2020) 4172–4179; doi:10.1039/D0PY00594K

data_1558285
_publ_section_title
;
 Synthesis and gas separation performance of intrinsically microporous
 polyimides derived from sterically hindered binaphthalenetetracarboxylic
 dianhydride
;
_journal_issue                   25
_journal_name_full               'Polymer Chemistry'
_journal_page_first              4172
_journal_page_last               4179
_journal_paper_doi               10.1039/D0PY00594K
_journal_volume                  11
_journal_year                    2020
_chemical_formula_sum            'C46 H40 N2 O6'
_chemical_formula_weight         716.80
_space_group_crystal_system      monoclinic
_space_group_IT_number           13
_space_group_name_Hall           '-P 2yac'
_space_group_name_H-M_alt        'P 1 2/n 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2020-04-11 deposited with the CCDC.	2020-06-10 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 93.893(2)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   12.5498(14)
_cell_length_b                   9.3561(10)
_cell_length_c                   20.332(2)
_cell_measurement_reflns_used    2640
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      22.6415
_cell_measurement_theta_min      2.3972
_cell_volume                     2381.8(4)
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Bruker APEX CCD'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0316
_diffrn_reflns_av_unetI/netI     0.0407
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.995
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            13242
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.995
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.349
_diffrn_reflns_theta_min         1.852
_exptl_absorpt_coefficient_mu    0.066
_exptl_crystal_colour            clorless
_exptl_crystal_density_diffrn    0.999
_exptl_crystal_description       plate
_exptl_crystal_F_000             756
_refine_diff_density_max         0.256
_refine_diff_density_min         -0.160
_refine_diff_density_rms         0.038
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.028
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     248
_refine_ls_number_reflns         4855
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.028
_refine_ls_R_factor_all          0.0801
_refine_ls_R_factor_gt           0.0540
_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/[\s^2^(Fo^2^)+(0.0909P)^2^+0.0826P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1480
_refine_ls_wR_factor_ref         0.1669
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3288
_reflns_number_total             4855
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d0py00594k2.cif
_cod_data_source_block           hx_sq
_cod_depositor_comments
;Adding full bibliography for 1558285.cif.

 Adding full bibliography for 1558285.cif.
;
_cod_original_cell_volume        2381.8(5)
_cod_original_sg_symbol_H-M      'P 2/n'
_cod_database_code               1558285
_shelx_shelxl_version_number     2014/7
_shelx_res_checksum              83599
_shelx_fab_checksum              867