A silver-catalyzed stereoselective domino cycloisomerization-vinylogous aldol reaction of <i>ortho</i>-alkynylbenzaldehydes with 3-alkylidene oxindoles: an entry to functionalized isochromenes.
Kumar, Krishna; Singh, Bhuvnesh; Singh, Ravi P.; Chemical communications (Cambridge, England) 56 (2020) 15153–15156; doi:10.1039/d0cc06273a

data_7127499
_publ_section_title
;
 A silver-catalyzed stereoselective domino cycloisomerization-vinylogous
 aldol reaction of <i>ortho</i>-alkynylbenzaldehydes with 3-alkylidene
 oxindoles: an entry to functionalized isochromenes.
;
_journal_issue                   96
_journal_name_full               'Chemical communications (Cambridge, England)'
_journal_page_first              15153
_journal_page_last               15156
_journal_paper_doi               10.1039/d0cc06273a
_journal_volume                  56
_journal_year                    2020
_chemical_formula_moiety         'C37 H33 N O4'
_chemical_formula_sum            'C37 H33 N O4'
_chemical_formula_weight         555.64
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2020-09-16 deposited with the CCDC.	2020-11-06 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 104.2380(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   15.1432(6)
_cell_length_b                   12.4911(5)
_cell_length_c                   16.2178(6)
_cell_measurement_reflns_used    9733
_cell_measurement_temperature    302(2)
_cell_measurement_theta_max      22.85
_cell_measurement_theta_min      2.67
_cell_volume                     2973.4(2)
_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-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_diffrn_ambient_temperature      302(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.980
_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  0.1179
_diffrn_reflns_av_unetI/netI     0.0725
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.980
_diffrn_reflns_limit_h_max       20
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_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       21
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_diffrn_reflns_number            77907
_diffrn_reflns_point_group_measured_fraction_full 1.000
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_diffrn_reflns_theta_max         28.357
_diffrn_reflns_theta_min         2.082
_exptl_absorpt_coefficient_mu    0.080
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            white
_exptl_crystal_density_diffrn    1.241
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
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_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.18
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_exptl_transmission_factor_max   0.987
_exptl_transmission_factor_min   0.983
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_refine_diff_density_min         -0.219
_refine_diff_density_rms         0.044
_refine_ls_extinction_method     none
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_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     383
_refine_ls_number_reflns         7294
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.939
_refine_ls_R_factor_all          0.1402
_refine_ls_R_factor_gt           0.0570
_refine_ls_shift/su_max          0.008
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.1000P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1417
_refine_ls_wR_factor_ref         0.1820
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3499
_reflns_number_total             7443
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d0cc06273a2.cif
_cod_data_source_block           kk863_0ma_a
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               7127499
_shelx_shelxl_version_number     2014/7
_shelx_res_checksum              7128
_shelx_hkl_checksum              42746