Rhodium-Catalyzed Oxidative Annulation of Hydrazines with Alkynes Using a Nitrobenzene Oxidant.
Li, Deng Yuan; Chen, Hao Jie; Liu, Pei Nian; Organic letters 16 (2014) 6176–; doi:10.1021/ol5030794

data_1518267
_publ_section_title
;
 Rhodium-Catalyzed Oxidative Annulation of Hydrazines with Alkynes Using a
 Nitrobenzene Oxidant.
;
_journal_issue                   23
_journal_name_full               'Organic letters'
_journal_page_first              6176
_journal_paper_doi               10.1021/ol5030794
_journal_volume                  16
_journal_year                    2014
_chemical_formula_sum            'C22 H18 N2 O'
_chemical_formula_weight         326.38
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_cell_formula_units_Z            4
_cell_length_a                   13.4742(12)
_cell_length_b                   9.3259(8)
_cell_length_c                   14.3879(12)
_cell_measurement_reflns_used    2830
_cell_measurement_temperature    293(2)
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_cell_volume                     1795.4(3)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SHELXTL'
_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      293(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
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_diffrn_radiation_type           MoK\a
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_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -11
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_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            10563
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_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         2.61
_exptl_absorpt_coefficient_mu    0.075
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.82178
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.207
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prismatic
_exptl_crystal_F_000             688
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_refine_ls_extinction_method     none
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_refine_ls_number_parameters     231
_refine_ls_number_reflns         3528
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_refine_ls_restrained_S_all      1.024
_refine_ls_R_factor_all          0.0594
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_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^)+(0.0588P)^2^+0.2881P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1124
_refine_ls_wR_factor_ref         0.1242
_reflns_number_gt                2694
_reflns_number_total             3528
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ol5030794_si_002.cif
_cod_data_source_block           cd213711
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to
/home/saulius/struct/COD-crude-data--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 2935 2014-11-11 08:27:57Z andrius 

 Adding full bibliography for 1518266--1518267.cif.
;
_cod_original_sg_symbol_H-M      P2(1)/c
_cod_database_code               1518267