Facile and eco-friendly synthesis of chromeno[4,3-b]pyrrol-4(1H)-one derivatives applying magnetically recoverable nano crystalline CuFe2O4 involving a domino three-component reaction in aqueous media
Das, Asish R.; Saha, Moumita; Pradhan, Koyel; RSC Adv.  (2016) –; doi:10.1039/C6RA06979G

data_7225441
_publ_section_title
;
 Facile and eco-friendly synthesis of chromeno[4,3-b]pyrrol-4(1H)-one
 derivatives applying magnetically recoverable nano crystalline CuFe2O4
 involving a domino three-component reaction in aqueous media
;
_journal_name_full               'RSC Adv.'
_journal_paper_doi               10.1039/C6RA06979G
_journal_year                    2016
_chemical_formula_moiety         'C23 H21 N2 O2 S'
_chemical_formula_sum            'C23 H21 N2 O2 S'
_chemical_formula_weight         389.48
_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_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
_audit_update_record
;
2016-03-03 deposited with the CCDC.
2016-06-01 downloaded from the CCDC.
;
_cell_angle_alpha                100.397(2)
_cell_angle_beta                 92.839(2)
_cell_angle_gamma                105.871(2)
_cell_formula_units_Z            2
_cell_length_a                   8.9365(7)
_cell_length_b                   10.9597(9)
_cell_length_c                   11.7375(9)
_cell_measurement_reflns_used    3782
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      0.985
_cell_measurement_theta_min      0.959
_cell_volume                     1081.65(15)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.989
_diffrn_measured_fraction_theta_max 0.989
_diffrn_measurement_device_type  'Bruker Apex 2 CCD'
_diffrn_measurement_method       '\w scans'
_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  0.0233
_diffrn_reflns_av_sigmaI/netI    0.0258
_diffrn_reflns_limit_h_max       10
_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            12254
_diffrn_reflns_theta_full        24.95
_diffrn_reflns_theta_max         24.95
_diffrn_reflns_theta_min         1.77
_exptl_absorpt_coefficient_mu    0.169
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.196
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             410
_exptl_crystal_size_max          0.60
_exptl_crystal_size_mid          0.54
_exptl_crystal_size_min          0.21
_refine_diff_density_max         1.946
_refine_diff_density_min         -1.757
_refine_diff_density_rms         0.109
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   4.875
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     282
_refine_ls_number_reflns         3749
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      4.875
_refine_ls_R_factor_all          0.2291
_refine_ls_R_factor_gt           0.1963
_refine_ls_shift/su_max          0.155
_refine_ls_shift/su_mean         0.010
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0900P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2000
_refine_ls_wR_factor_ref         0.2400
_reflns_number_gt                2720
_reflns_number_total             3749
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c6ra06979g2.cif
_cod_data_source_block           ard_ms_pac3_0m
_cod_database_code               7225441