Silver oxide(I) promoted Conia-ene/radical cyclization for a straightforward access to furan derivatives
Yu, Bao; selkti, mohamed; Ardisson, Janick; Lannou, Marie-Isabelle; Sorin, Geoffroy; Chemical Communications  (2022) –; doi:10.1039/D1CC06379K

data_7129448
_publ_section_title
;
 Silver oxide(I) promoted Conia-ene/radical cyclization for a
 straightforward access to furan derivatives
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/D1CC06379K
_journal_year                    2022
_chemical_formula_sum            'C14 H15 N O'
_chemical_formula_weight         213.27
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           Triclinic'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_audit_update_record
;
2021-09-30 deposited with the CCDC.	2021-12-20 downloaded from the CCDC.
;
_cell_angle_alpha                96.339(4)
_cell_angle_beta                 93.280(4)
_cell_angle_gamma                102.199(4)
_cell_formula_units_Z            2
_cell_length_a                   6.4404(4)
_cell_length_b                   9.0870(6)
_cell_length_c                   9.8469(7)
_cell_measurement_reflns_used    1782
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      63.49
_cell_measurement_theta_min      4.53
_cell_volume                     557.90(7)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX3'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Bruker VENTURE PHOTON100 CMOS'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.0371
_diffrn_reflns_av_sigmaI/netI    0.0254
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_h_min       -7
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_number            11546
_diffrn_reflns_theta_full        63.59
_diffrn_reflns_theta_max         63.59
_diffrn_reflns_theta_min         4.53
_exptl_absorpt_coefficient_mu    0.600
_exptl_absorpt_correction_T_max  0.7524
_exptl_absorpt_correction_T_min  0.6606
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.270
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             228
_exptl_crystal_size_max          0.190
_exptl_crystal_size_mid          0.060
_exptl_crystal_size_min          0.030
_refine_diff_density_max         0.180
_refine_diff_density_min         -0.292
_refine_diff_density_rms         0.052
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.062
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     146
_refine_ls_number_reflns         1839
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.062
_refine_ls_R_factor_all          0.0421
_refine_ls_R_factor_gt           0.0387
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0455P)^2^+0.3007P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0954
_refine_ls_wR_factor_ref         0.0977
_reflns_number_gt                1685
_reflns_number_total             1839
_reflns_threshold_expression     >2\s(I)
_cod_data_source_file            d1cc06379k2.cif
_cod_data_source_block           by660_bis
_cod_original_cell_volume        557.90(6)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7129448