Directed polymorphism and mechanofluorochromism of conjugated materials through weak non-covalent control
Sharber, Seth A.; Mann, Arielle; Shih, Kuo-Chih; Mullin, William J.; Nieh, Mu-Ping; Thomas, Samuel W.; Journal of Materials Chemistry C 7 (2019) 8316–; doi:10.1039/C9TC01301F

data_7237793
_publ_section_title
;
 Directed polymorphism and mechanofluorochromism of conjugated materials
 through weak non-covalent control
;
_journal_issue                   27
_journal_name_full               'Journal of Materials Chemistry C'
_journal_page_first              8316
_journal_paper_doi               10.1039/C9TC01301F
_journal_volume                  7
_journal_year                    2019
_chemical_formula_sum            'C46 H28 F10 O8'
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_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2019-02-13 deposited with the CCDC.	2019-06-05 downloaded from the CCDC.
;
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_cell_angle_gamma                90
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_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           MoK\a
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_diffrn_reflns_av_R_equivalents  0.0639
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_diffrn_reflns_limit_h_max       5
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_diffrn_reflns_point_group_measured_fraction_full 0.998
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_diffrn_reflns_theta_full        22.768
_diffrn_reflns_theta_max         22.768
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_exptl_absorpt_coefficient_mu    0.138
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
'Sheldrick, G. M. (1996). SADABS. University of G\"ottingen, Germany'
_exptl_crystal_colour            Green
_exptl_crystal_density_diffrn    1.556
_exptl_crystal_description       Fiber
_exptl_crystal_F_000             916
_exptl_crystal_recrystallization_method
'Re-crystallisation from solvent: Dichloromethane/hexanes'
_exptl_crystal_size_max          0.500
_exptl_crystal_size_mid          0.050
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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^)+(0.1259P)^2^+3.4164P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_number_gt                1984
_reflns_number_total             2596
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c9tc01301f3.cif
_cod_data_source_block           SS170830_0m_a_06_
_cod_original_cell_volume        1918.1(8)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7237793
_shelx_shelxl_version_number     2014/7
_shelx_estimated_absorpt_t_min   0.934
_shelx_estimated_absorpt_t_max   0.993
_shelx_res_checksum              65169