Multicomponent, one-pot and expeditous synthesis of highly substituted new spiro[indolo-3,10´-indeno[1,2-b]quinolin]-2,4,11´-triones under micellar catalytic effect of CTAB in water
Mondal, Animesh; Brown, Mike; Mukhopadhyay, Chhanda; RSC Advances  (2014) –; doi:10.1039/C4RA04918G

data_7217296
_publ_section_title
;
 Multicomponent, one-pot and expeditous synthesis of highly substituted
 new
 spiro[indolo-3,10&#x00B4;-indeno[1,2-b]quinolin]-2,4,11&#x00B4;-triones
 under micellar catalytic effect of CTAB in water
;
_journal_name_full               'RSC Advances'
_journal_paper_doi               10.1039/C4RA04918G
_journal_year                    2014
_chemical_formula_sum            'C36 H36 N2 O7 S2'
_chemical_formula_weight         672.81
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_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                93.390(2)
_cell_angle_beta                 103.796(2)
_cell_angle_gamma                110.449(2)
_cell_formula_units_Z            2
_cell_length_a                   9.9440(6)
_cell_length_b                   11.9081(7)
_cell_length_c                   15.8436(10)
_cell_measurement_temperature    296(2)
_cell_volume                     1686.12(18)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.982
_diffrn_measured_fraction_theta_max 0.982
_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  0.0266
_diffrn_reflns_av_sigmaI/netI    0.0287
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            19483
_diffrn_reflns_theta_full        25.42
_diffrn_reflns_theta_max         25.42
_diffrn_reflns_theta_min         1.34
_exptl_absorpt_coefficient_mu    0.210
_exptl_absorpt_correction_T_max  0.987
_exptl_absorpt_correction_T_min  0.983
_exptl_absorpt_correction_type   empirical
_exptl_crystal_density_diffrn    1.325
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             708
_exptl_crystal_size_max          0.08
_exptl_crystal_size_mid          0.07
_exptl_crystal_size_min          0.06
_refine_diff_density_max         2.918
_refine_diff_density_min         -0.818
_refine_diff_density_rms         0.098
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.530
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     431
_refine_ls_number_reflns         6114
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.530
_refine_ls_R_factor_all          0.1143
_refine_ls_R_factor_gt           0.0984
_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^)+(0.2000P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.3346
_refine_ls_wR_factor_ref         0.3596
_reflns_number_gt                4747
_reflns_number_total             6114
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c4ra04918g3.cif
_cod_data_source_block           a
_cod_database_code               7217296