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_7217295
_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_moiety         'C32 H26 N2 O3'
_chemical_formula_sum            'C32 H26 N2 O3'
_chemical_formula_weight         486.55
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 105.334(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   15.022(3)
_cell_length_b                   16.858(3)
_cell_length_c                   10.804(2)
_cell_measurement_temperature    296(2)
_cell_volume                     2638.6(9)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.978
_diffrn_measured_fraction_theta_max 0.978
_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  0.0476
_diffrn_reflns_av_sigmaI/netI    0.0599
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            10599
_diffrn_reflns_theta_full        23.45
_diffrn_reflns_theta_max         23.45
_diffrn_reflns_theta_min         1.85
_exptl_absorpt_coefficient_mu    0.079
_exptl_crystal_density_diffrn    1.225
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1024
_refine_diff_density_max         0.600
_refine_diff_density_min         -0.182
_refine_diff_density_rms         0.075
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.025
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     337
_refine_ls_number_reflns         3789
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.025
_refine_ls_R_factor_all          0.1300
_refine_ls_R_factor_gt           0.0866
_refine_ls_shift/su_max          0.086
_refine_ls_shift/su_mean         0.008
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1839P)^2^+0.9229P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2517
_refine_ls_wR_factor_ref         0.2907
_reflns_number_gt                2305
_reflns_number_total             3789
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c4ra04918g3.cif
_cod_data_source_block           a
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to
/usr/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 2281 2013-09-26 08:29:07Z andrius 
;
_cod_original_cell_volume        2638.5(9)
_cod_original_sg_symbol_H-M      P12(1)/c1
_cod_database_code               7217295