Application of the intramolecular Diels-Alder vinylarene (IMDAV) reaction for the synthesis of benzo-and carbocyclofuroisoindolecarboxylic acids and its limitations
Yakovleva, Elizaveta D.; Shelukho, Evgeniya; Erokhin, Pavel; Ilyushenkova, Valentina; Guryeva, Aleksandra S.; Logvinenko, Nikita; Khrustalev, Victor N.; Grigoriev, Mikhail S.; Zubkov, Fedor Ivanovich; Zaytsev, Vladimir P.; Organic & Biomolecular Chemistry  (2025) –; doi:10.1039/D5OB01918D

data_7161074
_publ_section_title
;
 Application of the intramolecular Diels-Alder vinylarene (IMDAV) reaction
 for the synthesis of benzo- and carbocyclofuroisoindole carboxylic acids
 and its limitations.
;
_journal_issue                   15
_journal_name_full               'Organic &amp; biomolecular chemistry'
_journal_page_first              3274
_journal_page_last               3286
_journal_paper_doi               10.1039/d5ob01918d
_journal_volume                  24
_journal_year                    2026
_chemical_formula_moiety         'C22 H16 F3 N O4, C2 H6 O S'
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;
2025-12-07 deposited with the CCDC.	2026-03-04 downloaded from the CCDC.
;
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'Rigaku XtaLAB Synergy-S, HyPix-6000HE area-detector'
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;
CrysAlisPro 1.171.41.117a (Rigaku Oxford Diffraction, 2021)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            colourless
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_exptl_crystal_description       needle
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_refine_ls_number_reflns         4689
_refine_ls_number_restraints     0
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_refine_ls_R_factor_gt           0.0618
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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^)+(0.0774P)^2^+1.3324P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1477
_refine_ls_wR_factor_ref         0.1504
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4317
_reflns_number_total             4689
_reflns_threshold_expression     'I > 2\s(I)'
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_cod_depositor_comments
'Adding full bibliography for 7161069--7161075.cif.'
_cod_database_code               7161074
_shelx_estimated_absorpt_t_min   0.661
_shelx_estimated_absorpt_t_max   0.895
_shelxl_version_number           2013-4
_shelx_res_checksum              74091