An efficient heterogeneous copper fluorapatite (CuFAP)-catalysed oxidative synthesis of diaryl sulfone under mild ligand- and base-free conditions
Kamble, Rohit B.; Chavan, Santosh S.; Suryavanshi, Gurunath; New Journal of Chemistry 43 (2019) 1632–; doi:10.1039/C8NJ04845B

data_7058039
_publ_section_title
;
 An efficient heterogeneous copper fluorapatite (CuFAP)-catalysed
 oxidative synthesis of diaryl sulfone under mild ligand- and base-free
 conditions
;
_journal_issue                   3
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              1632
_journal_paper_doi               10.1039/C8NJ04845B
_journal_volume                  43
_journal_year                    2019
_chemical_formula_moiety         'C12 H10 O2 S'
_chemical_formula_sum            'C12 H10 O2 S'
_chemical_formula_weight         218.26
_space_group_crystal_system      monoclinic
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_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2017/1
_audit_update_record
;
2018-08-17 deposited with the CCDC.
2018-12-11 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 96.36(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
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_computing_structure_refinement  'SHELXL-2017/1 (Sheldrick, 2017)'
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_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.810
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           MoK\a
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_diffrn_reflns_av_unetI/netI     0.0217
_diffrn_reflns_Laue_measured_fraction_full 0.992
_diffrn_reflns_Laue_measured_fraction_max 0.810
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_diffrn_reflns_point_group_measured_fraction_full 0.992
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_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         32.769
_diffrn_reflns_theta_min         3.226
_diffrn_source                   'sealed tube'
_exptl_absorpt_coefficient_mu    0.286
_exptl_absorpt_correction_T_max  0.918
_exptl_absorpt_correction_T_min  0.872
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            White
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_exptl_crystal_description       Cube
_exptl_crystal_F_000             456
_exptl_crystal_size_max          0.5
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0386P)^2^+0.8595P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_number_gt                2706
_reflns_number_total             3112
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c8nj04845b2.cif
_cod_data_source_block           Diphenylsulfone
_cod_depositor_comments          'Adding full bibliography for 7058039.cif.'
_cod_original_cell_volume        1038.0(11)
_cod_database_code               7058039
_shelx_shelxl_version_number     2017/1
_shelx_estimated_absorpt_t_min   0.872
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_shelx_res_checksum              96391
_shelx_hkl_checksum              16974