The synthesis of pyrroles and oxazoles based on gold alpha-imino carbene complexes
Nicole S. Y. Loy; Subin Choi; Sunggak Kim; Cheol-Min Park; Chem.Commun. 52 (2016) 7336–; doi:

data_7119001
_publ_section_title
;
 The synthesis of pyrroles and oxazoles based on gold alpha-imino carbene
 complexes
;
_journal_name_full               Chem.Commun.
_journal_page_first              7336
_journal_volume                  52
_journal_year                    2016
_chemical_formula_moiety         'C14 H15 N O3'
_chemical_formula_sum            'C14 H15 N O3'
_chemical_formula_weight         245.27
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_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-2014/7
_audit_update_record
;
2016-04-24 deposited with the CCDC.
2016-04-25 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 102.459(5)
_cell_angle_gamma                90
_cell_formula_units_Z            4
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_cell_length_c                   9.0753(15)
_cell_measurement_reflns_used    1162
_cell_measurement_temperature    103(2)
_cell_measurement_theta_max      23.67
_cell_measurement_theta_min      2.51
_cell_volume                     1275.9(4)
_computing_cell_refinement       'Bruker SAINT'
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_computing_molecular_graphics    'Bruker SHELXTL'
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_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'Bruker SHELXTL'
_diffrn_ambient_temperature      103(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1098
_diffrn_reflns_av_unetI/netI     0.1134
_diffrn_reflns_Laue_measured_fraction_full 0.997
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_diffrn_reflns_limit_l_min       -7
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_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.995
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_diffrn_reflns_theta_max         28.326
_diffrn_reflns_theta_min         1.430
_exptl_absorpt_coefficient_mu    0.090
_exptl_absorpt_correction_T_max  0.7457
_exptl_absorpt_correction_T_min  0.5885
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_exptl_crystal_colour            colourless
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_exptl_crystal_description       needle
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_exptl_crystal_size_max          0.400
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_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
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_refine_ls_matrix_type           full
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_refine_ls_number_reflns         3169
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_refine_ls_restrained_S_all      0.977
_refine_ls_R_factor_all          0.1498
_refine_ls_R_factor_gt           0.0607
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0918P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1381
_refine_ls_wR_factor_ref         0.1928
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_reflns_Friedel_fraction_full    .
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_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c6cc01742h2.cif
_cod_data_source_block           kim6-a
_cod_database_code               7119001
_shelx_shelxl_version_number     2014/7
_shelx_estimated_absorpt_t_min   0.965
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_shelx_res_checksum              70339