Facile access to evodiakine enabled by aerobic copper-catalyzed oxidative rearrangement.
Su, Yiting; Huang, Gaofeng; Ye, Fu; Qiao, Panpan; Ye, Jinxiang; Gao, Yu; Chen, Haijun; Organic & biomolecular chemistry 17 (2019) 8811–8815; doi:10.1039/c9ob01832h

data_7157111
_publ_section_title
;
 Facile access to evodiakine enabled by aerobic copper-catalyzed oxidative
 rearrangement.
;
_journal_issue                   39
_journal_name_full               'Organic &amp; biomolecular chemistry'
_journal_page_first              8811
_journal_page_last               8815
_journal_paper_doi               10.1039/c9ob01832h
_journal_volume                  17
_journal_year                    2019
_chemical_formula_sum            'C19 H17 N3 O3'
_chemical_formula_weight         335.35
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_space_group_name_Hall           '-P 2ybc'
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_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2013
_audit_update_record
;
2018-11-22 deposited with the CCDC.    2019-09-24 downloaded from the CCDC.
;
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_cell_angle_beta                 117.9680(10)
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_diffrn_measurement_method       '\f and \w scans'
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_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     SHELXL
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_refine_ls_restrained_S_all      1.026
_refine_ls_R_factor_all          0.1184
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_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0541P)^2^+0.7746P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1119
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_reflns_number_gt                3563
_reflns_number_total             6314
_reflns_threshold_expression     'I > 2\s(I)'
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_cod_data_source_block           dd18254
_cod_depositor_comments
'Adding full bibliography for 7157110--7157111.cif.'
_cod_database_code               7157111
_shelx_estimated_absorpt_t_min   0.985
_shelx_estimated_absorpt_t_max   0.994
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_shelx_res_checksum              40736