Regulable high-contrast mechanofluorochromic enhancement behaviour based on substituent effects.
Yang, Guang; Zhao, Wen-Xuan; Cao, Jing-Yi; Xue, Zeng-Min; Lin, Hong-Tao; Chen, Shu-Hai; Yamato, Takehiko; Redshaw, Carl; Wang, Chuan-Zeng; Chemical communications (Cambridge, England) 60 (2024) 3966–3969; doi:10.1039/d4cc00476k

data_1571174
_publ_section_title
;
 Regulable high-contrast mechanofluorochromic enhancement behaviour based
 on substituent effects.
;
_journal_issue                   29
_journal_name_full               'Chemical communications (Cambridge, England)'
_journal_page_first              3966
_journal_page_last               3969
_journal_paper_doi               10.1039/d4cc00476k
_journal_volume                  60
_journal_year                    2024
_chemical_formula_moiety         'C45 H26 O'
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Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_audit_update_record
;
2024-01-27 deposited with the CCDC.	2024-03-07 downloaded from the CCDC.
;
_cell_angle_alpha                80.613(3)
_cell_angle_beta                 82.954(3)
_cell_angle_gamma                70.163(3)
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_diffrn_reflns_theta_min         2.249
_diffrn_standards_number         0
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_exptl_crystal_colour            yellow
_exptl_crystal_colour_primary    yellow
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_refine_ls_structure_factor_coef Fsqd
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'w=1/[\s^2^(Fo^2^)+(0.0548P)^2^+0.0989P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1156
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_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d4cc00476k2.cif
_cod_data_source_block           zz
_cod_depositor_comments          'Adding full bibliography for 1571174.cif.'
_cod_database_code               1571174
_shelx_shelxl_version_number     2018/3
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
2.a Aromatic/amide H refined with riding coordinates:
 C1(H1), C2(H2), C3(H3), C7(H7), C8(H8), C12(H12), C13(H13), C15(H15),
 C16(H16), C18(H18), C19(H19), C21(H21), C22(H22), C25(H25), C26(H26), C28(H28),
  C29(H29), C31(H31), C32(H32), C36(H36), C37(H37), C41(H41), C42(H42),
 C43(H43), C44(H44), C45(H45)
;
_shelx_res_checksum              46441
_shelx_hkl_checksum              21951
_olex2_submission_special_instructions 'No special instructions were received'