Enantioselective synthesis of tetra-substituted tetralines and tetrahydro-indolizines by NHC-catalyzed azolium-enolate cascade.
Ghosh, Arghya; Barik, Shilpa; Shee, Sayan; Biju, Akkattu T.; Chemical communications (Cambridge, England) 57 (2021) 7794–7797; doi:10.1039/d1cc03165a

data_7128635
_publ_section_title
;
 Enantioselective synthesis of tetra-substituted tetralines and
 tetrahydro-indolizines by NHC-catalyzed azolium-enolate cascade.
;
_journal_issue                   63
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              7794
_journal_page_last               7797
_journal_paper_doi               10.1039/d1cc03165a
_journal_volume                  57
_journal_year                    2021
_chemical_absolute_configuration ad
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_audit_update_record
;
2021-05-13 deposited with the CCDC.	2021-07-07 downloaded from the CCDC.
;
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_diffrn_source                   'rotating anode'
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_exptl_absorpt_correction_type   multi-scan
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_exptl_crystal_density_diffrn    1.366
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_refine_ls_abs_structure_details
;
 Flack x determined using 2839 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.04(3)
_refine_ls_extinction_method     none
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_refine_ls_matrix_type           full
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_refine_ls_number_reflns         12384
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_refine_ls_restrained_S_all      0.978
_refine_ls_R_factor_all          0.1051
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_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^)+(0.0618P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1141
_refine_ls_wR_factor_ref         0.1353
_reflns_Friedel_coverage         0.945
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_reflns_Friedel_fraction_max     0.926
_reflns_number_gt                8107
_reflns_number_total             12384
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d1cc03165a2.cif
_cod_data_source_block           SB_SC_153
_cod_depositor_comments          'Adding full bibliography for 7128635.cif.'
_cod_original_cell_volume        1042.66(6)
_cod_database_code               7128635
_shelx_shelxl_version_number     2018/3
_shelx_res_checksum              6868