Synthesis of Indazoles by the [3+2] Cycloaddition of Diazo Compounds with Arynes and Subsequent Acyl Migration
Zhijian Liu; Feng Shi; Pablo D. G. Martínez; Cristiano Raminelli; Richard C. Larock; Journal of Organic Chemistry 73 (2008) 219–226; doi:10.1021/jo702062n

data_4023177
_publ_contact_author_email       ellern@iastate.edu
_publ_contact_author_fax         +1-515-2945717
_publ_contact_author_phone       +1-515-2947956
_publ_section_title
;
 Synthesis of Indazoles by the [3+2] Cycloaddition of Diazo Compounds
 with Arynes and Subsequent Acyl Migration
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              219
_journal_page_last               226
_journal_paper_doi               10.1021/jo702062n
_journal_volume                  73
_journal_year                    2008
_chemical_formula_sum            'C13 H14 N2 O4'
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_cell_angle_gamma                90.00
_cell_formula_units_Z            4
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_computing_cell_refinement       'Bruker SMART'
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_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      298(2)
_diffrn_measured_fraction_theta_full 1.000
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_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
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_diffrn_reflns_theta_max         28.26
_diffrn_reflns_theta_min         1.99
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_exptl_absorpt_correction_T_min  0.82
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_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.353
_exptl_crystal_density_meas      ?
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_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0814P)^2^+0.3190P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1411
_refine_ls_wR_factor_ref         0.1622
_reflns_number_gt                2128
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_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            jo702062n-File001.cif
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_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 

The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'none' was changed to '?' - the
value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 
;
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4023177