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_7127498
_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         'C38 H35 N O5'
_chemical_formula_sum            'C38 H35 N O5'
_chemical_formula_weight         585.67
_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-2014/7
_audit_update_record
;
2020-09-16 deposited with the CCDC.	2020-11-06 downloaded from the CCDC.
;
_cell_angle_alpha                89.428(2)
_cell_angle_beta                 77.020(2)
_cell_angle_gamma                75.639(2)
_cell_formula_units_Z            2
_cell_length_a                   10.5434(7)
_cell_length_b                   12.2090(8)
_cell_length_c                   12.9764(9)
_cell_measurement_reflns_used    9392
_cell_measurement_temperature    302(2)
_cell_measurement_theta_max      24.60
_cell_measurement_theta_min      2.30
_cell_volume                     1574.99(18)
_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 0.998
_diffrn_measured_fraction_theta_max 0.996
_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  0.0594
_diffrn_reflns_av_unetI/netI     0.0374
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.996
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_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       17
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_diffrn_reflns_point_group_measured_fraction_full 0.998
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_exptl_absorpt_coefficient_mu    0.081
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_exptl_crystal_density_method    'not measured'
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_refine_ls_number_reflns         7882
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_refine_ls_R_factor_all          0.1151
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_refine_ls_shift/su_max          0.015
_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^+0.5115P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1645
_refine_ls_wR_factor_ref         0.2020
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4522
_reflns_number_total             7910
_reflns_threshold_expression     'I > 2\s(I)'
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_cod_data_source_block           KK01_0m_a
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