Latency control of chemical reactions in polymerization of epoxy resins using a hydrogen bonding network
Haneda, Tsuyoshi; Matsuno, Shinya; Yamamoto, Hisanao; Ohtsu, Hiroyoshi; Kawano, Masaki; CrystEngComm 23 (2021) 7717–7719; doi:10.1039/D1CE01163D

data_7243835
_publ_section_title
;
 Latency control of chemical reactions in polymerization of epoxy resins
 using a hydrogen bonding network
;
_journal_issue                   44
_journal_name_full               CrystEngComm
_journal_page_first              7717
_journal_page_last               7719
_journal_paper_doi               10.1039/D1CE01163D
_journal_volume                  23
_journal_year                    2021
_chemical_formula_sum            'C44 H89 O8 P2'
_chemical_formula_weight         808.120
_chemical_name_common            TBPADP
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_audit_update_record
;
2021-02-03 deposited with the CCDC.	2021-10-14 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 113.170(1)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   21.4300(3)
_cell_length_b                   13.5076(1)
_cell_length_c                   9.2943(1)
_cell_measurement_temperature    300
_cell_volume                     2473.40(5)
_computing_cell_refinement       'RIETAN-FP (Izumi and Momma, 2007)'
_computing_molecular_graphics    'VESTA (Momma and Izumi, 2008)'
_computing_structure_refinement  'RIETAN-FP (Izumi and Momma, 2007)'
_computing_structure_solution    DASH
_diffrn_ambient_temperature      300
_diffrn_measurement_device_type  IP
_diffrn_radiation_type           synchrotron
_diffrn_radiation_wavelength     0.800000
_diffrn_source                   'Synchrotron radiation'
_diffrn_source_type              'SPring-8 BL19B2'
_exptl_absorpt_coefficient_mu    0.177
_exptl_crystal_density_diffrn    1.0851
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       ?????
_exptl_crystal_F_000             894.00
_pd_calc_method                  'Rietveld Refinement'
_pd_instr_location               ' ?'
_pd_meas_2theta_range_inc        0.0050
_pd_meas_2theta_range_max        35.0000
_pd_meas_2theta_range_min        3.0000
_pd_meas_number_of_points        6401
_pd_meas_scan_method             step
_pd_proc_2theta_range_inc        0.0050
_pd_proc_2theta_range_max        35.0000
_pd_proc_2theta_range_min        3.0000
_pd_proc_ls_background_function  'Legendre polynomials'
_pd_proc_ls_pref_orient_corr     ' ?'
_pd_proc_ls_profile_function     'split pseudo-Voigt function'
_pd_proc_ls_prof_R_factor        0.11422
_pd_proc_ls_prof_wR_expected     0.17980
_pd_proc_ls_prof_wR_factor       0.12856
_pd_spec_mounting                ' ?'
_pd_spec_mount_mode              transmission
_pd_spec_shape                   cylinder
_refine_diff_density_max         0.0
_refine_diff_density_min         0.0
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   0.7150
_refine_ls_matrix_type           full
_refine_ls_number_constraints    70
_refine_ls_number_parameters     100
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.10497
_refine_ls_R_Fsqd_factor         0.10497
_refine_ls_R_I_factor            0.19512
_refine_ls_shift/su_max          0.0
_refine_ls_weighting_details     1/<i>y</i>~i~
_refine_ls_weighting_scheme      sigma
_cod_data_source_file            d1ce01163d2.cif
_cod_data_source_block           single_phase
_cod_depositor_comments
'Adding full bibliography for 7243835--7243841.cif.'
_cod_original_cell_volume        2473.39(5)
_cod_original_sg_symbol_Hall     '-P 2ybc'
_cod_database_code               7243835