Photocatalytic Hydrodefluorination: Facile Access to Partially Fluorinated Aromatics.
Senaweera, Sameera M.; Singh, Anuradha; Weaver, Jimmie D.; Journal of the American Chemical Society 136 (2014) 3002–; doi:10.1021/ja500031m

data_4120612
_publ_section_title
;
 Photocatalytic Hydrodefluorination: Facile Access to Partially
 Fluorinated Aromatics.
;
_journal_issue                   8
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              3002
_journal_paper_doi               10.1021/ja500031m
_journal_volume                  136
_journal_year                    2014
_chemical_formula_moiety         'F6 Si, 2(C6 H16 N)'
_chemical_formula_sum            'C12 H32 F6 N2 Si'
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_symmetry_space_group_name_Hall  '-C 2yc'
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_cell_volume                     1699.99(12)
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_diffrn_measurement_method       '\f and \w scans'
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_diffrn_reflns_Laue_measured_fraction_full 0.999
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_diffrn_reflns_limit_l_min       -17
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_diffrn_reflns_point_group_measured_fraction_full 0.999
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_diffrn_reflns_theta_max         28.305
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_exptl_absorpt_coefficient_mu    0.192
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_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Bruker, 2002)'
_exptl_crystal_colour            colorless
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_exptl_crystal_description       block
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_refine_ls_extinction_method     none
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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^)+(0.0570P)^2^+0.9000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0854
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_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            ja500031m_si_002.cif
_cod_data_source_block           13094
_cod_depositor_comments
;
The following automatic conversions were performed:

data name '_iucr_refine_instruction_details' was replaced with
'_iucr_refine_instructions_details' as specified in the replacement
file 'data/replacement-values/replacement_tags.lst'.

Automatic conversion script
Id: cif_correct_tags 9268 2022-04-12 08:56:07Z antanas 
;
_cod_database_code               4120612
_shelx_estimated_absorpt_t_min   0.912
_shelx_estimated_absorpt_t_max   0.974
_shelxl_version_number           2013-3
_shelx_res_checksum              2809
_shelx_hkl_checksum              5812