Stereoselective synthesis of 6/7/6-fused heterocycles with multiple stereocenters <i>via</i> an internal redox reaction/inverse electron-demand hetero-Diels-Alder reaction sequence.
Sakai, Dan; Kojima, Tatsuhiro; Kawasaki-Takasuka, Tomoko; Mori, Keiji; Chemical communications (Cambridge, England) 60 (2024) 6797–6800; doi:10.1039/d4cc02351j

data_7133150
_publ_section_title
;
 Stereoselective synthesis of 6/7/6-fused heterocycles with multiple
 stereocenters <i>via</i> an internal redox reaction/inverse
 electron-demand hetero-Diels-Alder reaction sequence.
;
_journal_issue                   53
_journal_name_full               'Chemical communications (Cambridge, England)'
_journal_page_first              6797
_journal_page_last               6800
_journal_paper_doi               10.1039/d4cc02351j
_journal_volume                  60
_journal_year                    2024
_chemical_formula_sum            'C28 H30 N2 O4'
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_audit_update_record
;
2024-04-25 deposited with the CCDC.	2024-06-04 downloaded from the CCDC.
;
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_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.797
_diffrn_measurement_device       'four-circle diffractometer'
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_diffrn_reflns_point_group_measured_fraction_full 0.930
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_exptl_absorpt_process_details
;
CrysAlisPro 1.171.40.75a (Rigaku Oxford Diffraction, 2020)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.302
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_refine_ls_abs_structure_details
;
 Flack x determined using 1943 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   -0.1(4)
_refine_ls_extinction_method     none
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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^)+(0.0506P)^2^+0.3937P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0795
_refine_ls_wR_factor_ref         0.0807
_reflns_Friedel_coverage         0.741
_reflns_Friedel_fraction_full    0.862
_reflns_Friedel_fraction_max     0.593
_reflns_number_gt                4711
_reflns_number_total             4914
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d4cc02351j2.cif
_cod_data_source_block           2aa
_cod_depositor_comments
'Adding full bibliography for 7133150--7133151.cif.'
_cod_original_cell_volume        2338.94(12)
_cod_original_sg_symbol_H-M      'C c'
_cod_database_code               7133150
_shelx_shelxl_version_number     2018/3
_shelx_estimated_absorpt_t_min   0.991
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_shelx_res_checksum              13087
_shelx_hkl_checksum              68278