Renewable Benzofuran Polymerization Initiated by Lewis Acid Al(C6F5)3 and Mechanism
Lin, Fei; Wang, Meiyan; Cui, Dongmei; Macromolecules 50 (2017) 8449–; doi:10.1021/acs.macromol.7b01928

data_1547799
_publ_section_title
;
 Renewable Benzofuran Polymerization Initiated by Lewis Acid Al(C6F5)3 and
 Mechanism
;
_journal_issue                   21
_journal_name_full               Macromolecules
_journal_page_first              8449
_journal_paper_doi               10.1021/acs.macromol.7b01928
_journal_volume                  50
_journal_year                    2017
_chemical_formula_sum            'C26 H6 Al F15 O'
_chemical_formula_weight         646.29
_chemical_name_systematic
;
 ?
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014
_cell_angle_alpha                80.274(9)
_cell_angle_beta                 83.225(9)
_cell_angle_gamma                77.211(10)
_cell_formula_units_Z            4
_cell_length_a                   10.910(4)
_cell_length_b                   12.115(5)
_cell_length_c                   18.761(8)
_cell_measurement_reflns_used    1809
_cell_measurement_temperature    273(2)
_cell_measurement_theta_max      26.599
_cell_measurement_theta_min      2.35
_cell_volume                     2375.1(17)
_computing_structure_refinement  'SHELXL-2014 (Sheldrick, 2014)'
_diffrn_ambient_temperature      273(2)
_diffrn_measured_fraction_theta_full 0.979
_diffrn_measured_fraction_theta_max 0.964
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0413
_diffrn_reflns_av_unetI/netI     0.1091
_diffrn_reflns_Laue_measured_fraction_full 0.979
_diffrn_reflns_Laue_measured_fraction_max 0.964
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            13349
_diffrn_reflns_point_group_measured_fraction_full 0.979
_diffrn_reflns_point_group_measured_fraction_max 0.964
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.599
_diffrn_reflns_theta_min         1.743
_exptl_absorpt_coefficient_mu    0.225
_exptl_absorpt_correction_type   none
_exptl_crystal_density_diffrn    1.807
_exptl_crystal_description       block
_exptl_crystal_F_000             1272
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.180
_exptl_crystal_size_min          0.150
_refine_diff_density_max         0.412
_refine_diff_density_min         -0.371
_refine_diff_density_rms         0.090
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.973
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     775
_refine_ls_number_reflns         9588
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.973
_refine_ls_R_factor_all          0.1561
_refine_ls_R_factor_gt           0.0733
_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^)+(0.1160P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1741
_refine_ls_wR_factor_ref         0.2396
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4590
_reflns_number_total             9588
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            ma7b01928_si_002.cif
_cod_data_source_block           003
_cod_depositor_comments          'Adding full bibliography for 1547799.cif.'
_cod_original_cell_volume        2375.0(17)
_cod_database_code               1547799
_shelx_estimated_absorpt_t_min   0.956
_shelx_estimated_absorpt_t_max   0.967
_shelxl_version_number           2014-3
_shelx_res_checksum              14341
_shelx_hkl_checksum              54096