Heterogeneous graphene oxide as recyclable catalyst for azomethine ylide mediated 1,3 dipolar cycloaddition reaction in aqueous medium
Reddy, Marri Sameer; Kumar, Nandigama Satish; Chowhan, L. Raju; RSC Advances 8 (2018) 35587–; doi:10.1039/C8RA06714G

data_7231673
_publ_section_title
;
 Heterogeneous graphene oxide as recyclable catalyst for azomethine ylide
 mediated 1,3 dipolar cycloaddition reaction in aqueous medium
;
_journal_issue                   62
_journal_name_full               'RSC Advances'
_journal_page_first              35587
_journal_paper_doi               10.1039/C8RA06714G
_journal_volume                  8
_journal_year                    2018
_chemical_formula_moiety         'C31 H24 Br N5 O3'
_chemical_formula_sum            'C31 H24 Br N5 O3'
_chemical_formula_weight         594.47
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      15
_symmetry_space_group_name_Hall  '-I 2ya'
_symmetry_space_group_name_H-M   'I 1 2/a 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_update_record
;
2018-03-30 deposited with the CCDC.
2018-10-01 downloaded from the CCDC.
;
_cell_angle_alpha                90.0000
_cell_angle_beta                 91.587(5)
_cell_angle_gamma                90.0000
_cell_formula_units_Z            8
_cell_length_a                   20.6810(13)
_cell_length_b                   10.5543(7)
_cell_length_c                   23.8451(15)
_cell_measurement_reflns_used    21861
_cell_measurement_temperature    293
_cell_measurement_theta_max      27.63
_cell_measurement_theta_min      3.06
_cell_volume                     5202.8(6)
_computing_cell_refinement       PROCESS-AUTO
_computing_data_collection       PROCESS-AUTO
_computing_data_reduction        PROCESS-AUTO
_computing_molecular_graphics    'CrystalStructure 4.0'
_computing_publication_material  'CrystalStructure 4.0 (Rigaku, 2010)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SIR92 (Altomare, et al., 1994)'
_diffrn_ambient_temperature      293
_diffrn_detector_area_resol_mean 6.849
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Rigaku SCX mini'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71075
_diffrn_reflns_av_R_equivalents  0.0408
_diffrn_reflns_limit_h_max       26
_diffrn_reflns_limit_h_min       -26
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_number            25696
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.629
_exptl_absorpt_correction_T_max  0.594
_exptl_absorpt_correction_T_min  0.372
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'REQAB (Rigaku, 1998)'
_exptl_crystal_colour            Orange
_exptl_crystal_density_diffrn    1.518
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             2432.00
_exptl_crystal_size_max          0.590
_exptl_crystal_size_mid          0.560
_exptl_crystal_size_min          0.320
_refine_diff_density_max         0.580
_refine_diff_density_min         -0.310
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.965
_refine_ls_hydrogen_treatment    refxyz
_refine_ls_number_parameters     577
_refine_ls_number_reflns         5957
_refine_ls_number_restraints     0
_refine_ls_R_factor_gt           0.0414
_refine_ls_shift/su_max          10.963
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^)+(0.1000P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1336
_reflns_number_gt                4686
_reflns_number_total             5957
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            c8ra06714g2.cif
_cod_data_source_block           RC-44
_cod_database_code               7231673