Porous Metal-Organic Framework Catalyzing the Three-Component Coupling of Sulfonyl Azide, Alkyne, and Amine
Tao Yang; Hao Cui; Changhe Zhang; Li Zhang; Cheng-Yong Su; Inorganic Chemistry 52 (2013) 9053–9059; doi:10.1021/ic4012229

data_4335646
_publ_contact_author_address
;
   'Li Zhang'
   School of Chemistry and Chemical Engineering, 
   Sun Yat-sen University, 
   Guangzhou 510275,PR.China.

    'Cheng-Yong Su'
    MOE Laboratory of Bioinorganic and Synthetic 
    Chemistry/KLGHEI of Environment and Energy Chemistry, 
    State Key La-boratory of 
    Optoelectronic Materials and Technologies
    School of Chemistry and Chemical Engineering, 
    Sun Yat-sen University, 
    Guangzhou 510275, PR. China.
;
_publ_contact_author_email
;
(L.Z.) zhli99@mail.sysu.edu.cn
(C.-Y. S.) cesscy@ mail.sysu.edu.cn
;
_publ_contact_author_fax         '86 20 84115178'
_publ_contact_author_name        'Li Zhang, Cheng-Yong Su'
_publ_contact_author_phone
'(L.Z.) 86 20 84110318; (C.-Y. S.) 86 20 84115178'
_publ_section_title
;
 Porous Metal-Organic Framework Catalyzing the Three-Component Coupling of
 Sulfonyl Azide, Alkyne, and Amine
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              9053
_journal_page_last               9059
_journal_paper_doi               10.1021/ic4012229
_journal_volume                  52
_journal_year                    2013
_chemical_formula_sum            'C21 H27 F N2 O2 S'
_chemical_formula_weight         390.51
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_symmetry_space_group_name_H-M   'P -1'
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_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
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_cell_angle_beta                 100.239(6)
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_cell_formula_units_Z            2
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_cell_measurement_theta_max      1.00000
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_cell_volume                     1010.45(16)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      150
_diffrn_detector_area_resol_mean 16.0855
_diffrn_measured_fraction_theta_full 0.975
_diffrn_measured_fraction_theta_max 0.975
_diffrn_measurement_device_type  'Xcalibur, Sapphire3, Gemini ultra'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.0300
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_diffrn_reflns_limit_h_max       9
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_diffrn_reflns_limit_k_min       -13
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_diffrn_reflns_theta_max         63.18
_diffrn_reflns_theta_min         3.99
_diffrn_standards_decay_%        none
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_exptl_absorpt_correction_T_max  0.7901
_exptl_absorpt_correction_T_min  0.5962
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            colorless
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_exptl_crystal_description       block
_exptl_crystal_F_000             416
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_exptl_crystal_size_min          0.15
_refine_diff_density_max         0.393
_refine_diff_density_min         -0.463
_refine_diff_density_rms         0.076
_refine_ls_extinction_method     none
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_refine_ls_hydrogen_treatment    geom
_refine_ls_matrix_type           full
_refine_ls_number_parameters     244
_refine_ls_number_reflns         3192
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.020
_refine_ls_R_factor_all          0.0521
_refine_ls_R_factor_gt           0.0462
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1000P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1300
_refine_ls_wR_factor_ref         0.1432
_reflns_number_gt                2785
_reflns_number_total             3192
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic4012229_si_002_2.cif
_cod_data_source_block           4a
_cod_original_cell_volume        1010.45(14)
_cod_database_code               4335646