High brightness in bis(tri-isopropylsilyl)ethynyl-functionalized polycyclic aromatic hydrocarbons: localized representation <i>versus</i> Clar's model.
Dhbaibi, Kais; Le Thi, Huong; Marrot, Jérôme; Hayakawa, Masahiro; Mamada, Masashi; Frigoli, Michel; Chemical science 17 (2026) 6653–6661; doi:10.1039/d5sc09423b

data_1576488
_publ_section_title
;
 High brightness in bis(tri-isopropylsilyl)ethynyl-functionalized
 polycyclic aromatic hydrocarbons: localized representation <i>versus</i>
 Clar's model.
;
_journal_issue                   13
_journal_name_full               'Chemical science'
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_journal_paper_doi               10.1039/d5sc09423b
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_journal_year                    2026
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;
2025-11-15 deposited with the CCDC.	2026-02-02 downloaded from the CCDC.
;
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;
CrysAlisPro 1.171.42.90a (Rigaku Oxford Diffraction, 2023)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
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_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
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_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.1916P)^2^+12.5085P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_number_gt                4705
_reflns_number_total             7471
_reflns_threshold_expression     'I > 2\s(I)'
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_cod_depositor_comments
'Adding full bibliography for 1576486--1576488.cif.'
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