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_7231674
_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         'C24 H21 Br N4 O4'
_chemical_formula_sum            'C24 H21 Br N4 O4'
_chemical_formula_weight         509.36
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_update_record
;
2018-06-14 deposited with the CCDC.
2018-10-01 downloaded from the CCDC.
;
_cell_angle_alpha                90.0000
_cell_angle_beta                 94.269(4)
_cell_angle_gamma                90.0000
_cell_formula_units_Z            4
_cell_length_a                   7.8599(6)
_cell_length_b                   20.3405(16)
_cell_length_c                   13.7843(11)
_cell_measurement_reflns_used    18248
_cell_measurement_temperature    293
_cell_measurement_theta_max      27.73
_cell_measurement_theta_min      3.00
_cell_volume                     2197.6(3)
_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  0.0472
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            21811
_diffrn_reflns_theta_full        27.49
_diffrn_reflns_theta_max         27.49
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.916
_exptl_absorpt_correction_T_max  0.795
_exptl_absorpt_correction_T_min  0.332
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'REQAB (Rigaku, 1998)'
_exptl_crystal_colour            Colorless
_exptl_crystal_density_diffrn    1.539
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Chip
_exptl_crystal_F_000             1040.00
_exptl_crystal_size_max          1.130
_exptl_crystal_size_mid          0.470
_exptl_crystal_size_min          0.120
_refine_diff_density_max         0.600
_refine_diff_density_min         -0.580
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.096
_refine_ls_hydrogen_treatment    mixed
_refine_ls_number_parameters     302
_refine_ls_number_reflns         5031
_refine_ls_number_restraints     0
_refine_ls_R_factor_gt           0.0473
_refine_ls_shift/su_max          8.427
_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         0.1607
_reflns_number_gt                3917
_reflns_number_total             5031
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            c8ra06714g2.cif
_cod_data_source_block           RC-MSR-NSK_in_P21
_cod_database_code               7231674