Enantioselective H-bond-directed vinylogous iminium ion strategy for the functionalization of vinyl-substituted heteroaryl aldehydes.
Skrzyńska, Anna; Frankowski, Sebastian; Topolska, Aleksandra; Dyguda, Mateusz; Gao, Xin-Yue; Xu, Chang-Jiang; Chen, Ying-Chun; Albrecht, Łukasz; Chemical communications (Cambridge, England) 57 (2021) 1667–1670; doi:10.1039/d0cc07765h

data_7127795
_publ_section_title
;
 Enantioselective H-bond-directed vinylogous iminium ion strategy for the
 functionalization of vinyl-substituted heteroaryl aldehydes.
;
_journal_issue                   13
_journal_name_full               'Chemical communications (Cambridge, England)'
_journal_page_first              1667
_journal_page_last               1670
_journal_paper_doi               10.1039/d0cc07765h
_journal_volume                  57
_journal_year                    2021
_chemical_absolute_configuration ad
_chemical_formula_moiety         'C15 H14 O2 S'
_chemical_formula_sum            'C15 H14 O2 S'
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_chemical_name_systematic
;
(3aR,8bR)-3a-phenyl-3,3a,5,8b-tetrahydro-1H-furo[3,2-d]thieno[3,4-b]pyran
;
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;
2020-08-23 deposited with the CCDC.	2021-01-07 downloaded from the CCDC.
;
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_diffrn_detector                 'Hybrid Pixel Array Detector'
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_diffrn_reflns_reduction_process
;
;
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_diffrn_source                   'micro-focus sealed X-ray tube'
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;
CrysAlisPro 1.171.40.82a (Rigaku Oxford Diffraction, 2020)
Numerical absorption correction based on gaussian integration over
a multifaceted crystal model
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.380
_exptl_crystal_description       plate
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_exptl_crystal_size_max          0.382
_exptl_crystal_size_mid          0.305
_exptl_crystal_size_min          0.100
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_refine_diff_density_min         -0.149
_refine_diff_density_rms         0.030
_refine_ls_abs_structure_details
;
 Flack x determined using 1020 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.003(7)
_refine_ls_extinction_method     none
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_refine_ls_number_reflns         2177
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.054
_refine_ls_R_factor_all          0.0194
_refine_ls_R_factor_gt           0.0194
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0303P)^2^+0.1622P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0511
_refine_ls_wR_factor_ref         0.0511
_reflns_number_gt                2177
_reflns_number_total             2177
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            d0cc07765h2.cif
_cod_data_source_block           maf21
_cod_depositor_comments
'Adding full bibliography for 7127795--7127796.cif.'
_cod_original_sg_symbol_H-M      'P 21'
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