An environmentally benign approach for the synthesis of bifunctional sulfonamide-amide compounds via isocyanide-based multicomponent reactions
Shaabani, Ahmad; Sarvary, Afshin; Ghasemi, Sabrieh; Rezayan, Ali Hossein; Ghadari, Rahim; Ng, Seik Weng; Green Chemistry 13 (2011) 582–; doi:10.1039/c0gc00442a

data_7205907
_publ_section_title
;
 An environmentally benign approach for the synthesis of bifunctional
 sulfonamide-amide compounds via isocyanide-based multicomponent
 reactions
;
_journal_issue                   3
_journal_name_full               'Green Chemistry'
_journal_page_first              582
_journal_paper_doi               10.1039/c0gc00442a
_journal_volume                  13
_journal_year                    2011
_chemical_formula_sum            'C24 H36 N2 O6 S'
_chemical_formula_weight         480.61
_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                73.495(3)
_cell_angle_beta                 82.566(4)
_cell_angle_gamma                65.165(3)
_cell_formula_units_Z            2
_cell_length_a                   8.818(2)
_cell_length_b                   10.459(2)
_cell_length_c                   16.684(4)
_cell_measurement_temperature    295(2)
_cell_volume                     1338.8(5)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      295(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_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  0.0643
_diffrn_reflns_av_sigmaI/netI    0.1062
_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       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            10652
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.27
_exptl_absorpt_coefficient_mu    0.159
_exptl_absorpt_correction_T_max  0.9921
_exptl_absorpt_correction_T_min  0.9689
_exptl_crystal_density_diffrn    1.192
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             516
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.05
_refine_diff_density_max         0.796
_refine_diff_density_min         -0.362
_refine_diff_density_rms         0.105
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.010
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     299
_refine_ls_number_reflns         4721
_refine_ls_number_restraints     28
_refine_ls_restrained_S_all      1.034
_refine_ls_R_factor_all          0.1706
_refine_ls_R_factor_gt           0.0722
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1287P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1940
_refine_ls_wR_factor_ref         0.2562
_reflns_number_gt                2169
_reflns_number_total             4721
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c0gc00442a.txt
_cod_data_source_block           4a
_cod_database_code               7205907