Combining silver- and organocatalysis: an enantioselective sequential catalytic approach towards pyrano-annulated pyrazoles
Daniel Hack; Pankaj Chauhan; Kristina Deckers; Yusuke Mizutani; Gerhard Raabe; Dieter Enders; Chem.Commun. 51 (2015) 2266–; doi:10.1039/C4cc09495F

data_7116453
_publ_section_title
;
 Combining silver- and organocatalysis: an enantioselective sequential
 catalytic approach towards pyrano-annulated pyrazoles
;
_journal_name_full               Chem.Commun.
_journal_page_first              2266
_journal_paper_doi               10.1039/C4cc09495F
_journal_volume                  51
_journal_year                    2015
_chemical_formula_moiety         'C20 H17 N3 O3'
_chemical_formula_sum            'C20 H17 N3 O3'
_chemical_formula_weight         347.4
_space_group_IT_number           4
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 1'
_audit_update_record
;
2014-11-21 deposited with the CCDC.
2015-01-07 downloaded from the CCDC.
;
_cell_angle_alpha                90.00000
_cell_angle_beta                 94.065(3)
_cell_angle_gamma                90.00000
_cell_formula_units_Z            2
_cell_length_a                   5.3666(3)
_cell_length_b                   14.0877(7)
_cell_length_c                   11.0289(6)
_cell_measurement_reflns_used    8599
_cell_measurement_temperature    100
_cell_measurement_theta_max      66.86
_cell_measurement_theta_min      4.02
_cell_volume                     831.72(8)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'xtal ADDREF SORTRF'
_computing_molecular_graphics    xtal
_computing_publication_material  'xtal BONDLA CIFIO'
_computing_structure_refinement  'xtal CRYLSQ'
_computing_structure_solution    xtal
_diffrn_ambient_temperature      100
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_detector       'Bruker APEX II CCD'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'sealed tube'
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  .024
_diffrn_reflns_av_sigmaI/netI    .024
_diffrn_reflns_limit_h_max       6
_diffrn_reflns_limit_h_min       -6
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            19612
_diffrn_reflns_theta_max         67.18
_diffrn_reflns_theta_min         4.02
_exptl_absorpt_coefficient_mu    .779
_exptl_absorpt_correction_T_max  0.7529
_exptl_absorpt_correction_T_min  0.5875
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            'light brownish'
_exptl_crystal_density_diffrn    1.387
_exptl_crystal_density_meas      'not measured'
_exptl_crystal_description       irregular
_exptl_crystal_F_000             364
_exptl_crystal_size_max          1.062
_exptl_crystal_size_mid          0.732
_exptl_crystal_size_min          0.254
_refine_diff_density_max         .199
_refine_diff_density_min         -.178
_refine_ls_abs_structure_details 'Flack parameter'
_refine_ls_abs_structure_Flack   0.087(230)
_refine_ls_extinction_coef       277(125)
_refine_ls_extinction_expression 'Eq22 p292 "Cryst. Comp." Munksgaard 1970'
_refine_ls_extinction_method     Zachariasen
_refine_ls_goodness_of_fit_all   1.271
_refine_ls_goodness_of_fit_ref   1.273
_refine_ls_hydrogen_treatment    refall
_refine_ls_matrix_type           full
_refine_ls_number_constraints    0
_refine_ls_number_parameters     303
_refine_ls_number_reflns         2899
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          .031
_refine_ls_R_factor_gt           .031
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     sigma
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         .035
_refine_ls_wR_factor_ref         .035
_reflns_d_resolution_high        .836
_reflns_d_resolution_low         10.977
_reflns_Friedel_coverage         .916
_reflns_limit_h_max              6
_reflns_limit_h_min              0
_reflns_limit_k_max              16
_reflns_limit_k_min              0
_reflns_limit_l_max              13
_reflns_limit_l_min              -12
_reflns_number_gt                2899
_reflns_number_total             2913
_reflns_threshold_expression     'I >  2.00 sig(I)'
_cod_data_source_file            c4cc09495f3.cif
_cod_data_source_block           gr0777
_cod_database_code               7116453