Selective synthesis of multifunctionalized cyclopent-3-ene-1-carboxamides and 2-oxabicyclo[2.2.1]heptane derivatives
Zheng, Hui; Han, Ying; Xu, Feng-Shun; Sun, Jing; Yan, Chao-Guo; New Journal of Chemistry 46 (2022) 17161–17166; doi:10.1039/D2NJ03198A

data_7061727
_publ_section_title
;
 Selective synthesis of multifunctionalized cyclopent-3-ene-1-carboxamides
 and 2-oxabicyclo[2.2.1]heptane derivatives
;
_journal_issue                   36
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              17161
_journal_page_last               17166
_journal_paper_doi               10.1039/D2NJ03198A
_journal_volume                  46
_journal_year                    2022
_chemical_formula_moiety         'C30 H23 Cl N2 O5'
_chemical_formula_sum            'C30 H23 Cl N2 O5'
_chemical_formula_weight         526.95
_space_group_crystal_system      monoclinic
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_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2022-06-28 deposited with the CCDC.	2022-08-11 downloaded from the CCDC.
;
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_cell_angle_gamma                90
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_cell_length_c                   13.5076(8)
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_cell_volume                     2597.5(2)
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_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_diffrn_ambient_temperature      296(2)
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_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\f and \w scans'
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_diffrn_reflns_Laue_measured_fraction_full 0.998
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_exptl_absorpt_coefficient_mu    0.191
_exptl_absorpt_correction_T_max  0.7455
_exptl_absorpt_correction_T_min  0.6847
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            colorless
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_exptl_crystal_description       block
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_refine_ls_extinction_method     none
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_refine_ls_number_reflns         5098
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.023
_refine_ls_R_factor_all          0.1225
_refine_ls_R_factor_gt           0.0597
_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^)+(0.0577P)^2^+1.2970P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1254
_refine_ls_wR_factor_ref         0.1513
_reflns_Friedel_coverage         0.000
_reflns_number_gt                2950
_reflns_number_total             5098
_reflns_threshold_expression     'I > 2\s(I)'
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_cod_data_source_block           5a
_cod_depositor_comments
'Adding full bibliography for 7061724--7061728.cif.'
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7061727
_shelx_shelxl_version_number     2014/7
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_shelx_estimated_absorpt_t_max   0.963
_shelx_res_checksum              76040