Asymmetric synthesis of dihydro-1,3-dioxepines by Rh(II)/Sm(III) relay catalytic three-component tandem [4+3]-cycloaddition
Xu, Chaoran; Qiao, Jianglin; Dong, Shunxi; Zhou, Yuqiao; Liu, Xiaohua; Feng, Xiaoming; Chemical Science  (2021) –; doi:10.1039/D1SC01019K

data_1560949
_publ_section_title
;
 Asymmetric synthesis of dihydro-1,3-dioxepines by Rh(II)/Sm(III) relay
 catalytic three-component tandem [4+3]-cycloaddition
;
_journal_name_full               'Chemical Science'
_journal_paper_doi               10.1039/D1SC01019K
_journal_year                    2021
_chemical_formula_moiety         'C28 H26 O6'
_chemical_formula_sum            'C28 H26 O6'
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_space_group_name_Hall           '-R 3'
_space_group_name_H-M_alt        'R -3 :H'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2020-11-25 deposited with the CCDC.	2021-03-08 downloaded from the CCDC.
;
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_cell_measurement_temperature    148(2)
_cell_measurement_theta_max      68.26
_cell_measurement_theta_min      4.41
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_computing_cell_refinement       'Bruker SAINT'
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_computing_structure_solution    'SHELXT (Sheldrick 2008)'
_diffrn_ambient_temperature      148(2)
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_diffrn_measured_fraction_theta_max 0.987
_diffrn_measurement_device_type  'Bruker D8 Venture Photon II'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           CuK\a
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_diffrn_reflns_av_R_equivalents  0.0457
_diffrn_reflns_av_unetI/netI     0.0176
_diffrn_reflns_Laue_measured_fraction_full 0.987
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_diffrn_reflns_limit_h_max       41
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_diffrn_reflns_point_group_measured_fraction_full 0.987
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_diffrn_reflns_theta_min         2.543
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_exptl_absorpt_correction_T_min  0.8513
_exptl_absorpt_correction_type   numerical
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_exptl_crystal_colour            colourless
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_exptl_crystal_description       block
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_exptl_crystal_recrystallization_method
'Re-crystallisation from solvent: DCM, PE'
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_refine_ls_extinction_method     none
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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^)+(0.0337P)^2^+15.6412P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_cod_data_source_block           ktf010
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_cod_database_code               1560949
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_shelx_estimated_absorpt_t_max   0.941
_shelx_res_checksum              10304
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