Rapid synthesis of bicyclic lactones via palladium-catalyzed aminocarbonylative lactonizations.
Yin, Xianglin; Mohammad, Haroon; Eldesouky, Hassan E.; Abdelkhalek, Ahmed; Seleem, Mohamed N.; Dai, Mingji; Chemical communications (Cambridge, England) 53 (2017) 7238–7241; doi:10.1039/c7cc02494k

data_7120355
_publ_section_title
;
 Rapid synthesis of bicyclic lactones via palladium-catalyzed
 aminocarbonylative lactonizations.
;
_journal_issue                   53
_journal_name_full               'Chemical communications (Cambridge, England)'
_journal_page_first              7238
_journal_page_last               7241
_journal_paper_doi               10.1039/c7cc02494k
_journal_volume                  53
_journal_year                    2017
_chemical_formula_sum            'C18 H21 N O4 S'
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_symmetry_space_group_name_Hall  '-P 1'
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_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2017-03-26 deposited with the CCDC.
2017-04-28 downloaded from the CCDC.
;
_cell_angle_alpha                99.050(15)
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_cell_angle_gamma                90.749(17)
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_cell_measurement_temperature    100(2)
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;  
SHELXL-2014/7 (Sheldrick, 2014), 
SHELXLE Rev714 (H\"ubschle et al., 2011)
;
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
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_diffrn_measured_fraction_theta_max 0.985
_diffrn_measurement_device_type  'Bruker AXS D8 Quest CMOS diffractometer'
_diffrn_measurement_method       'omega and phi scans'
_diffrn_radiation_monochromator  'Triumph curved graphite crystal'
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_diffrn_reflns_limit_l_min       -27
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_exptl_absorpt_correction_T_min  0.6579
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_exptl_absorpt_process_details   'Apex3 v2016.9-0 (Bruker, 2016)'
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_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.095
_refine_ls_R_factor_all          0.0636
_refine_ls_R_factor_gt           0.0499
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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^)+(0.0366P)^2^+2.3277P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_refine_ls_wR_factor_ref         0.1279
_reflns_Friedel_coverage         0.000
_reflns_number_gt                12006
_reflns_number_total             14716
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c7cc02494k2.cif
_cod_data_source_block           XL_2_81_0m
_cod_original_cell_volume        2443.7(12)
_cod_database_code               7120355
_shelx_shelxl_version_number     2014/7
_shelx_estimated_absorpt_t_min   0.913
_shelx_estimated_absorpt_t_max   0.968
_shelx_res_checksum              31471
_shelx_hkl_checksum              62783