InCl3-mediated eco-friendly three-component domino reaction for synthesis of highly functionalized triazolylspiroxindolinopyrans and triazolylpyrans under solvent-free conditions
Kamalraja, Jayabal; Murugasan, Potharaj; Perumal, Paramasivan Thirumalai; RSC Advances 4 (2014) 19422–; doi:10.1039/c4ra01524j

data_7235557
_publ_section_title
;
 InCl3-mediated eco-friendly three-component domino reaction for synthesis
 of highly functionalized triazolylspiroxindolinopyrans and
 triazolylpyrans under solvent-free conditions
;
_journal_issue                   37
_journal_name_full               'RSC Advances'
_journal_page_first              19422
_journal_paper_doi               10.1039/c4ra01524j
_journal_volume                  4
_journal_year                    2014
_chemical_formula_sum            'C33 H24 Br N6 O7 S'
_chemical_formula_weight         728.55
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        '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                112.022(6)
_cell_angle_beta                 97.279(5)
_cell_angle_gamma                90.570(5)
_cell_formula_units_Z            2
_cell_length_a                   10.8072(7)
_cell_length_b                   12.1025(8)
_cell_length_c                   14.9454(10)
_cell_measurement_temperature    293(2)
_cell_volume                     1794.0(2)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_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  0.0498
_diffrn_reflns_av_sigmaI/netI    0.0620
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            23149
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         3.75
_exptl_absorpt_coefficient_mu    1.257
_exptl_crystal_density_diffrn    1.349
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             742
_refine_diff_density_max         3.279
_refine_diff_density_min         -0.802
_refine_diff_density_rms         0.155
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.324
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     433
_refine_ls_number_reflns         7024
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.324
_refine_ls_R_factor_all          0.1690
_refine_ls_R_factor_gt           0.1154
_refine_ls_shift/su_max          15.000
_refine_ls_shift/su_mean         0.037
_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          0.3396
_refine_ls_wR_factor_ref         0.3750
_reflns_number_gt                4154
_reflns_number_total             7024
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c4ra01524j2.cif
_cod_data_source_block           shelxl
_cod_database_code               7235557