Rhodium(iii)-catalyzed Oxidative Coupling of N-Methoxybenzamides and Ethenesulfonyl fluoride: a C–H Bond Activation Strategy for the Preparation of 2-Aryl ethenesulfonyl fluorides and Sulfonyl fluoride Substituted γ-Lactams
Wang, Shi-Meng; Li, Chen; Leng, Jing; Bukhari, Syed Nasir Abbas; Qin, Hua-Li; Organic Chemistry Frontiers 5 (2018) 1411–; doi:10.1039/C7QO01128H

data_1553972
_publ_section_title
;
 Rhodium(iii)-catalyzed Oxidative Coupling of N-Methoxybenzamides and
 Ethenesulfonyl fluoride: a C--H Bond Activation Strategy for the
 Preparation of 2-Aryl ethenesulfonyl fluorides and Sulfonyl fluoride
 Substituted \g-Lactams
;
_journal_issue                   9
_journal_name_full               'Organic Chemistry Frontiers'
_journal_page_first              1411
_journal_paper_doi               10.1039/C7QO01128H
_journal_volume                  5
_journal_year                    2018
_chemical_formula_sum            'C15 H11 F O5 S'
_chemical_formula_weight         322.30
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_space_group_name_Hall           '-P 2yn'
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_atom_sites_solution_hydrogens   geom
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_audit_update_record
;
2017-10-12 deposited with the CCDC.
2018-03-07 downloaded from the CCDC.
;
_cell_angle_alpha                90.00
_cell_angle_beta                 98.112(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
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_cell_length_b                   6.7929(8)
_cell_length_c                   25.645(3)
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_cell_measurement_theta_min      2.675
_cell_volume                     1491.6(3)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.981
_diffrn_measured_fraction_theta_max 0.981
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
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_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_k_min       -8
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_diffrn_reflns_limit_l_min       -5
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_diffrn_reflns_theta_max         25.02
_diffrn_reflns_theta_min         3.10
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_exptl_absorpt_correction_T_max  0.9182
_exptl_absorpt_correction_T_min  0.9029
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_density_diffrn    1.435
_exptl_crystal_density_meas      0
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             664
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1098P)^2^+1.9743P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2160
_refine_ls_wR_factor_ref         0.2291
_reflns_number_gt                1863
_reflns_number_total             2570
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c7qo01128h2.cif
_cod_data_source_block           170906f
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_symmetry_cell_setting' value 'Monoclinic' was changed to
'monoclinic' in accordance with the
/home/saulius/struct/COD-crude-data/automatic-downloads/DataCite-retrospective/RSC/depositions/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 last updated on
2011-04-26.

Automatic conversion script
Id: cif_fix_values 6909 2019-04-08 15:41:33Z antanas 
;
_cod_original_cell_volume        1491.7(3)
_cod_original_sg_symbol_H-M      P2(1)/n
_cod_database_code               1553972