Pillar[5]arene-based self-assembled linear supramolecular polymer driven by guest halogen–halogen interactions in solid and solution states
Al-Azemi, Talal F.; Vinodh, Mickey; Polymer Chemistry 11 (2020) 3305–3312; doi:10.1039/D0PY00327A

data_1557910
_publ_section_title
;
 Pillar[5]arene-based self-assembled linear supramolecular polymer driven
 by guest halogen--halogen interactions in solid and solution states
;
_journal_issue                   19
_journal_name_full               'Polymer Chemistry'
_journal_page_first              3305
_journal_page_last               3312
_journal_paper_doi               10.1039/D0PY00327A
_journal_volume                  11
_journal_year                    2020
_chemical_formula_sum            'C53 H66 Br4 O10'
_chemical_formula_weight         1182.69
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2017/1
_audit_update_record
;
2019-12-04 deposited with the CCDC.	2020-04-24 downloaded from the CCDC.
;
_cell_angle_alpha                91.283(6)
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_computing_structure_refinement  'SHELXL-2017/1 (Sheldrick, 2017)'
_diffrn_ambient_temperature      150(2)
_diffrn_detector_area_resol_mean 10.000
_diffrn_measured_fraction_theta_full 0.981
_diffrn_measured_fraction_theta_max 0.981
_diffrn_measurement_device_type  'Rigaku R-AXIS RAPID'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
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_diffrn_reflns_av_unetI/netI     0.1598
_diffrn_reflns_Laue_measured_fraction_full 0.981
_diffrn_reflns_Laue_measured_fraction_max 0.981
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_diffrn_reflns_point_group_measured_fraction_full 0.981
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_diffrn_reflns_theta_full        25.028
_diffrn_reflns_theta_max         25.028
_diffrn_reflns_theta_min         3.186
_exptl_absorpt_coefficient_mu    3.137
_exptl_absorpt_correction_T_max  0.882
_exptl_absorpt_correction_T_min  0.388
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'ABSCOR (Rigaku, 1995)'
_exptl_crystal_colour            Colorless
_exptl_crystal_density_diffrn    1.503
_exptl_crystal_description       Needle
_exptl_crystal_F_000             1208
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_exptl_crystal_size_mid          0.050
_exptl_crystal_size_min          0.040
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0878P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1549
_refine_ls_wR_factor_ref         0.1790
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4246
_reflns_number_total             9072
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d0py00327a2.cif
_cod_data_source_block           shelxl
_cod_depositor_comments
;Adding full bibliography for 1557910.cif.

 Adding full bibliography for 1557910.cif.
;
_cod_original_cell_volume        2612.8(3)
_cod_database_code               1557910
_shelx_shelxl_version_number     2017/1
_shelx_estimated_absorpt_t_min   0.508
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_shelx_res_checksum              76777