A formal (5+1) annulation reaction from heterodimerization of two different isocyanides: stereoselective synthesis of 2H-benzo[b][1,4]oxazin-2-one
Li, Jian; Su, Shikuan; Hu, Jie; Cui, Yongmei; Tang, Chongrong; Chen, Yali; Chemical Communications  (2019) –; doi:10.1039/C9CC06678K

data_7124203
_publ_section_title
;
 A formal (5+1) annulation reaction from heterodimerization of two
 different isocyanides: stereoselective synthesis of
 2H-benzo[b][1,4]oxazin-2-one
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/C9CC06678K
_journal_year                    2019
_chemical_formula_sum            'C16 H18 N2 O4'
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_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2019-04-01 deposited with the CCDC.    2019-09-18 downloaded from the CCDC.
;
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_cell_angle_gamma                90
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_cell_measurement_temperature    296(2)
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_cell_measurement_theta_min      5.09
_cell_volume                     1536.05(9)
_computing_cell_refinement       'Bruker SAINT'
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_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\f and \w scans'
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_diffrn_reflns_Laue_measured_fraction_full 0.999
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_diffrn_reflns_theta_max         55.920
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_exptl_absorpt_correction_T_max  0.864
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_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
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_refine_ls_R_factor_all          0.0551
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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^)+(0.0503P)^2^+0.3666P] where P=(Fo^2^+2Fc^2^)/3'
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_reflns_threshold_expression     'I > 2\s(I)'
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_cod_data_source_block           ga_80607a_a
_cod_database_code               7124203
_shelx_shelxl_version_number     2014/7
_shelx_estimated_absorpt_t_min   0.845
_shelx_estimated_absorpt_t_max   0.929
_shelx_res_checksum              97253