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_1576486
_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_page_last               6661
_journal_paper_doi               10.1039/d5sc09423b
_journal_volume                  17
_journal_year                    2026
_chemical_formula_moiety         'C52 H56 Si2'
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;
2025-11-15 deposited with the CCDC.	2026-02-02 downloaded from the CCDC.
;
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_exptl_absorpt_process_details
;
CrysAlisPro 1.171.40.53 (Rigaku Oxford Diffraction, 2019)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            green
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_refine_ls_structure_factor_coef Fsqd
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'w=1/[\s^2^(Fo^2^)+(0.0639P)^2^+2.3919P] where P=(Fo^2^+2Fc^2^)/3'
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_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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_cod_database_code               1576486
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