Unexpected cyclization of β-(hydroxymethyl)phosphole into 1-phospha-1,6a-dihydrophosphapentalene: a fused 1,3-butadiene-based luminophore
Higashino, Tomohiro; Minobe, Riku; Machino, Tomoya; Imahori, Hiroshi; Chemical Communications 61 (2025) 9420–9423; doi:10.1039/D5CC02428E

data_7134580
_publ_section_title
;
 Unexpected cyclization of \b-(hydroxymethyl)phosphole into
 1-phospha-1,6a-dihydrophosphapentalene: a fused 1,3-butadiene-based
 luminophore
;
_journal_issue                   52
_journal_name_full               'Chemical Communications'
_journal_page_first              9420
_journal_page_last               9423
_journal_paper_doi               10.1039/D5CC02428E
_journal_volume                  61
_journal_year                    2025
_chemical_formula_moiety         'C43 H29 O P, C H2 Cl2'
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_audit_update_record
;
2025-02-17 deposited with the CCDC.	2025-05-21 downloaded from the CCDC.
;
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_exptl_absorpt_process_details
;
CrysAlisPro 1.171.39.46e (Rigaku Oxford Diffraction, 2018)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            orange
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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^)+(0.1000P)^2^+2.5000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1863
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_reflns_number_gt                5808
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_reflns_threshold_expression     'I > 2\s(I)'
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_cod_depositor_comments
'Adding full bibliography for 7134580--7134582.cif.'
_cod_database_code               7134580
_shelx_estimated_absorpt_t_min   0.923
_shelx_estimated_absorpt_t_max   0.987
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_shelx_hkl_checksum              9042