Ag<sub>2</sub>O-promoted ring-opening reactions of cyclopropenones with oximes.
Yang, Ye-Fei; Huang, Xiao-Bo; Gao, Wen-Xia; Zhou, Yun-Bing; Liu, Miao-Chang; Wu, Hua-Yue; Organic & biomolecular chemistry 18 (2020) 5822–5825; doi:10.1039/d0ob00601g

data_7157592
_publ_section_title
;
 Ag<sub>2</sub>O-promoted ring-opening reactions of cyclopropenones with
 oximes.
;
_journal_issue                   30
_journal_name_full               'Organic &amp; biomolecular chemistry'
_journal_page_first              5822
_journal_page_last               5825
_journal_paper_doi               10.1039/d0ob00601g
_journal_volume                  18
_journal_year                    2020
_chemical_formula_sum            'C38 H29 N O3'
_chemical_formula_weight         547.62
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2013
_audit_update_record
;
2019-05-20 deposited with the CCDC.	2020-07-14 downloaded from the CCDC.
;
_cell_angle_alpha                103.2290(10)
_cell_angle_beta                 97.7420(10)
_cell_angle_gamma                105.1910(10)
_cell_formula_units_Z            2
_cell_length_a                   9.8324(3)
_cell_length_b                   10.2354(3)
_cell_length_c                   15.6234(5)
_cell_measurement_reflns_used    9291
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      54.524
_cell_measurement_theta_min      5.677
_cell_volume                     1445.05(8)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_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  0.0393
_diffrn_reflns_av_unetI/netI     0.0292
_diffrn_reflns_Laue_measured_fraction_full 0.994
_diffrn_reflns_Laue_measured_fraction_max 0.994
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            25719
_diffrn_reflns_point_group_measured_fraction_full 0.994
_diffrn_reflns_point_group_measured_fraction_max 0.994
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.999
_diffrn_reflns_theta_min         1.369
_exptl_absorpt_coefficient_mu    0.079
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.7096
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.259
_exptl_crystal_description       prismatic
_exptl_crystal_F_000             576
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.17
_exptl_crystal_size_min          0.13
_refine_diff_density_max         0.146
_refine_diff_density_min         -0.164
_refine_diff_density_rms         0.030
_refine_ls_extinction_coef       0.052(5)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.044
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     381
_refine_ls_number_reflns         5643
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.044
_refine_ls_R_factor_all          0.0554
_refine_ls_R_factor_gt           0.0410
_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^)+(0.0476P)^2^+0.2695P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0995
_refine_ls_wR_factor_ref         0.1110
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4472
_reflns_number_total             5643
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d0ob00601g2.cif
_cod_data_source_block           mo_dd18068_0m
_cod_depositor_comments
;Adding full bibliography for 7157592.cif.

 Adding full bibliography for 7157592.cif.
;
_cod_database_code               7157592
_shelxl_version_number           2013-4
_shelx_res_checksum              2469