Rhodium(III)-Catalyzed Intermolecular Amidation with Azides via C(sp(3))-H Functionalization.
Wang, Nuancheng; Li, Renhe; Li, Liubo; Xu, Shansheng; Song, Haibin; Wang, Baiquan; The Journal of organic chemistry 79 (2014) 5379–5385; doi:10.1021/jo5008515

data_4029448
_publ_section_title
;
 Rhodium(III)-Catalyzed Intermolecular Amidation with Azides via
 C(sp(3))-H Functionalization.
;
_journal_issue                   11
_journal_name_full               'The Journal of organic chemistry'
_journal_page_first              5379
_journal_page_last               5385
_journal_paper_doi               10.1021/jo5008515
_journal_volume                  79
_journal_year                    2014
_chemical_formula_sum            'C18 H15 F3 N2 O2 S'
_chemical_formula_weight         380.38
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_symmetry_space_group_name_Hall  '-P 2yn'
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_cell_length_b                   10.745(2)
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_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      27.8426
_cell_measurement_theta_min      2.0881
_cell_volume                     1716.2(7)
_computing_cell_refinement       crystalclear
_computing_data_collection       crystalclear
_computing_data_reduction        crystalclear
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'rigaku saturn'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_monochromator  confocal
_diffrn_radiation_source         'rotating anode'
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_diffrn_reflns_limit_k_max       14
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_diffrn_reflns_limit_l_min       -17
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_diffrn_reflns_theta_max         27.92
_diffrn_reflns_theta_min         2.09
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.235
_exptl_absorpt_correction_T_max  0.9724
_exptl_absorpt_correction_T_min  0.9546
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   crystalclear
_exptl_crystal_density_diffrn    1.472
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             784
_exptl_crystal_size_max          0.20
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_refine_ls_extinction_coef       0.035(4)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.071
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_refine_ls_number_reflns         4101
_refine_ls_number_restraints     73
_refine_ls_restrained_S_all      1.180
_refine_ls_R_factor_all          0.0531
_refine_ls_R_factor_gt           0.0408
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0736P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1101
_refine_ls_wR_factor_ref         0.1176
_reflns_number_gt                3138
_reflns_number_total             4101
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            jo5008515_si_002.cif
_cod_data_source_block           r131224c
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to
/usr/data/users/saulius/crontab/automatic-downloads/rss-feeds/ACS/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from
2011-04-26.

'_exptl_absorpt_correction_type' value 'MULTI-SCAN'
changed to 'multi-scan' according to
/usr/data/users/saulius/crontab/automatic-downloads/rss-feeds/ACS/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 2281 2013-09-26 08:29:07Z andrius 

 Adding full bibliography for 4029448.cif.
;
_cod_original_cell_volume        1716.3(6)
_cod_original_sg_symbol_H-M      P2(1)/n
_cod_database_code               4029448