Identification of monodentate oxazoline as a ligand for copper-promoted ortho-C‒H hydroxylation and amination
Shang, Ming; Shao, Qian; Sun, Shang-Zheng; Chen, Yan-Qiao; Xu, Hui; Dai, Hui-Xiong; Yu, Jin-Quan; Chem. Sci. 8 (2017) 1469–; doi:10.1039/C6SC03383K

data_1544210
_publ_section_title
;
 Identification of monodentate oxazoline as a ligand for copper-promoted
 ortho-C--H hydroxylation and amination
;
_journal_issue                   2
_journal_name_full               'Chem. Sci.'
_journal_page_first              1469
_journal_paper_doi               10.1039/C6SC03383K
_journal_volume                  8
_journal_year                    2017
_chemical_formula_sum            'C42 H22 F14 N2 Na O7'
_chemical_formula_weight         955.60
_chemical_name_systematic
; 
 ? 
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
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_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2013
_audit_update_record
;
2016-07-28 deposited with the CCDC.
2016-09-23 downloaded from the CCDC.
;
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_cell_angle_beta                 96.630(4)
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_cell_measurement_theta_min      4.872
_cell_volume                     2649.3(9)
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_computing_data_reduction        'Bruker SHELXTL'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_structure_solution    'Bruker SHELXTL'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_type           MoK\a
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;
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_refine_ls_structure_factor_coef Fsqd
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'w=1/[\s^2^(Fo^2^)+(0.0940P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_number_gt                4274
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_reflns_threshold_expression     'I > 2\s(I)'
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_cod_depositor_comments
'Adding full bibliography for 1544210--1544211.cif.'
_cod_database_code               1544210
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