Hydrogen bond directed aerobic oxidation of amines via photoredox catalysis.
Wang, Hongyu; Man, Yunquan; Wang, Kaiye; Wan, Xiuyan; Tong, Lili; Li, Na; Tang, Bo; Chemical communications (Cambridge, England) 54 (2018) 10989–10992; doi:10.1039/c8cc06603e

data_7122291
_publ_section_title
;
 Hydrogen bond directed aerobic oxidation of amines via photoredox
 catalysis.
;
_journal_issue                   78
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              10989
_journal_page_last               10992
_journal_paper_doi               10.1039/c8cc06603e
_journal_volume                  54
_journal_year                    2018
_chemical_formula_sum            'C40 H43 Cd N5 O12'
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_space_group_name_Hall           'P 2 2ab'
_space_group_name_H-M_alt        'P 21 21 2'
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_atom_sites_solution_hydrogens   mixed
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_audit_update_record
;
2018-02-01 deposited with the CCDC.
2018-09-04 downloaded from the CCDC.
;
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_cell_angle_gamma                90
_cell_formula_units_Z            4
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_cell_length_c                   11.6674(9)
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_cell_volume                     4084.5(5)
_computing_cell_refinement       'Bruker SMART'
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_computing_molecular_graphics    'Bruker SHELXTL'
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_computing_structure_solution    'Bruker SHELXTL'
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_diffrn_radiation_type           MoK\a
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_diffrn_reflns_av_unetI/netI     0.1394
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_diffrn_reflns_limit_k_min       -31
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; 
 Flack x determined using 1793 quotients [(I+)-(I-)]/[(I+)+(I-)] 
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259). 
;
_refine_ls_abs_structure_Flack   0.04(2)
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_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0503P)^2^+1.0014P] where P=(Fo^2^+2Fc^2^)/3'
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_cod_depositor_comments          'Adding full bibliography for 7122291.cif.'
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_shelx_estimated_absorpt_t_min   0.831
_shelx_estimated_absorpt_t_max   0.942
_shelx_res_checksum              42431