Nanodomain cubic cuprous oxide as reusable catalyst in one-pot synthesis of 3-alkyl/aryl-3-(pyrrole-2-yl/indole-3-yl)-2-phenyl-2,3-dihydro-isoindolinones in aqueous medium
Sarkar, Swarbhanu; Chatterjee, Nivedita; Roy, Manas; Pal, Rammyani; Sarkar, Sabyasachi; Sen, Asish Kumar; RSC Advances 4 (2014) 7024–; doi:10.1039/c3ra46168h

data_7239423
_publ_section_title
;
 Nanodomain cubic cuprous oxide as reusable catalyst in one-pot synthesis
 of
 3-alkyl/aryl-3-(pyrrole-2-yl/indole-3-yl)-2-phenyl-2,3-dihydro-isoindolinones
 in aqueous medium
;
_journal_issue                   14
_journal_name_full               'RSC Advances'
_journal_page_first              7024
_journal_paper_doi               10.1039/c3ra46168h
_journal_volume                  4
_journal_year                    2014
_chemical_formula_moiety         C25
_chemical_formula_sum            'C25 H19 F N2 O'
_chemical_formula_weight         382.42
_chemical_name_common
3-Benzyl-2-(4-fluoro-phenyl)-3-(1H-pyrrol-2-yl)-2,3-dihydro-isoindol-1-one
_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
_cell_angle_alpha                65.601(4)
_cell_angle_beta                 82.825(3)
_cell_angle_gamma                74.204(2)
_cell_formula_units_Z            2
_cell_length_a                   9.384(2)
_cell_length_b                   10.889(3)
_cell_length_c                   11.239(3)
_cell_measurement_temperature    296(2)
_cell_volume                     1006.3(4)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.938
_diffrn_measured_fraction_theta_max 0.938
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0558
_diffrn_reflns_av_sigmaI/netI    0.1238
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            4336
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         2.12
_exptl_absorpt_coefficient_mu    0.084
_exptl_crystal_density_diffrn    1.262
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             400
_refine_diff_density_max         0.539
_refine_diff_density_min         -0.409
_refine_diff_density_rms         0.124
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.487
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     262
_refine_ls_number_reflns         3329
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.487
_refine_ls_R_factor_all          0.1760
_refine_ls_R_factor_gt           0.0643
_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^)+(0.1000P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1765
_refine_ls_wR_factor_ref         0.2151
_reflns_number_gt                2300
_reflns_number_total             3329
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c3ra46168h.txt
_cod_data_source_block           aks_ss_b2_aug13_0m
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_symmetry_cell_setting' value 'Triclinic' was changed to
'triclinic' in accordance with the
/home/saulius/struct/COD-crude-data/automatic-downloads/DataCite-retrospective/RSC/depositions/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 last updated on
2011-04-26.

Automatic conversion script
Id: cif_fix_values 6909 2019-04-08 15:41:33Z antanas 
;
_cod_original_cell_volume        1006.2(4)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7239423