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_4335645
_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_moiety         'C21 H28 N2 O2 S'
_chemical_formula_sum            'C21 H28 N2 O2 S'
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_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      150(2)
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_diffrn_measured_fraction_theta_max 0.986
_diffrn_measurement_device_type  'Xcalibur, Sapphire3, Gemini ultra'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_monochromator  graphite
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_diffrn_reflns_theta_full        63.30
_diffrn_reflns_theta_max         63.30
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_diffrn_standards_decay_%        none
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_exptl_absorpt_correction_T_max  0.8688
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_exptl_crystal_size_min          0.09
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_refine_diff_density_min         -0.327
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_refine_ls_extinction_coef       0.0062(12)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     SHELXL
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_refine_ls_hydrogen_treatment    geom
_refine_ls_matrix_type           full
_refine_ls_number_parameters     236
_refine_ls_number_reflns         3203
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.168
_refine_ls_R_factor_all          0.0395
_refine_ls_R_factor_gt           0.0359
_refine_ls_shift/su_max          0.001
_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          0.1298
_refine_ls_wR_factor_ref         0.1380
_reflns_number_gt                2926
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_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic4012229_si_002_1.cif
_cod_data_source_block           1a
_cod_original_cell_volume        995.74(9)
_cod_database_code               4335645