A Simple Matrine Derivative for the Facile Syntheses of Mesoporous Zeolites ITQ-37 and ITQ-43
Zhang, Chuanqi; Xu, Li; Li, Xinzhu; Hu, Jibo; Zhu, Liangkui; Li, Yan; Jiang, Jiuxing; Wang, Zhendong; Yang, Weimin; Chemical Communications  (2019) –; doi:10.1039/C8CC08196D

data_7122856
_publ_section_title
;
 A Simple Matrine Derivative for the Facile Syntheses of Mesoporous
 Zeolites ITQ-37 and ITQ-43
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/C8CC08196D
_journal_year                    2019
_chemical_absolute_configuration s
_chemical_formula_sum            'C16 H29 I N2'
_chemical_formula_weight         376.31
_space_group_IT_number           19
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_audit_update_record
;
2018-03-24 deposited with the CCDC.
2019-01-10 downloaded from the CCDC.
;
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   9.045(3)
_cell_length_b                   18.898(6)
_cell_length_c                   10.068(3)
_cell_measurement_reflns_used    6083
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      21.972
_cell_measurement_theta_min      3.113
_cell_volume                     1720.9(9)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Rigaku Saturn724 CCD'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1695
_diffrn_reflns_av_sigmaI/netI    0.0806
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_number            22995
_diffrn_reflns_theta_full        25.01
_diffrn_reflns_theta_max         25.01
_diffrn_reflns_theta_min         2.96
_exptl_absorpt_coefficient_mu    1.853
_exptl_absorpt_correction_T_max  0.8083
_exptl_absorpt_correction_T_min  0.5552
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS; Bruker, 2000'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.452
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             768
_exptl_crystal_size_max          0.301
_exptl_crystal_size_mid          0.224
_exptl_crystal_size_min          0.121
_refine_diff_density_max         1.011
_refine_diff_density_min         -0.662
_refine_diff_density_rms         0.109
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   -0.01(7)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.083
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     173
_refine_ls_number_reflns         3031
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.083
_refine_ls_R_factor_all          0.0952
_refine_ls_R_factor_gt           0.0567
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0384P)^2^+3.0376P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1042
_refine_ls_wR_factor_ref         0.1202
_reflns_number_gt                2202
_reflns_number_total             3031
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c8cc08196d2.cif
_cod_data_source_block           111
_cod_original_cell_volume        1721.1(10)
_cod_original_sg_symbol_H-M      P212121
_cod_database_code               7122856