Ni-catalyzed non-activated C-S bond cleavage at ambient temperature for the synthesis of sulfur-containing polycyclic compounds.
Shibata, Takanori; Sekine, Ayato; Akino, Mika; Ito, Mamoru; Chemical communications (Cambridge, England) 57 (2021) 9048–9051; doi:10.1039/d1cc03226g

data_7128722
_publ_section_title
;
 Ni-catalyzed non-activated C-S bond cleavage at ambient temperature for
 the synthesis of sulfur-containing polycyclic compounds.
;
_journal_issue                   72
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              9048
_journal_page_last               9051
_journal_paper_doi               10.1039/d1cc03226g
_journal_volume                  57
_journal_year                    2021
_chemical_formula_moiety         'C30 H22 O2 S'
_chemical_formula_sum            'C30 H22 O2 S'
_chemical_formula_weight         446.56
_space_group_crystal_system      monoclinic
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_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_update_record
;
2021-04-15 deposited with the CCDC.	2021-08-03 downloaded from the CCDC.
;
_cell_angle_alpha                90.0000
_cell_angle_beta                 98.627(7)
_cell_angle_gamma                90.0000
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_computing_cell_refinement       'RAPID AUTO'
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_computing_structure_solution    'SIR92 (Altomare, et al., 1994)'
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_diffrn_measurement_device_type  'Rigaku R-AXIS RAPID'
_diffrn_measurement_method       \w
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_diffrn_reflns_theta_min         1.902
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_exptl_crystal_colour            orange
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_exptl_crystal_description       needle
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_refine_ls_structure_factor_coef Fsqd
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'w = 1/[\s^2^(Fo^2^)+(0.1108P)^2^+1.5504P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1992
_refine_ls_wR_factor_ref         0.2208
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_reflns_number_total             5212
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
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_cod_depositor_comments
'Adding full bibliography for 7128722--7128724.cif.'
_cod_original_cell_volume        2285.2(3)
_cod_database_code               7128722
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