Ir(III)-Catalyzed Synthesis of Isoquinoline N-Oxides from Aryloxime and α-Diazocarbonyl Compounds.
Phatake, Ravindra S.; Patel, Pitambar; Ramana, Chepuri V.; Organic letters 18 (2016) 292–295; doi:10.1021/acs.orglett.5b03462

data_1540743
_publ_section_title
;
 Ir(III)-Catalyzed Synthesis of Isoquinoline N-Oxides from Aryloxime and
 \a-Diazocarbonyl Compounds.
;
_journal_issue                   2
_journal_name_full               'Organic letters'
_journal_page_first              292
_journal_page_last               295
_journal_paper_doi               10.1021/acs.orglett.5b03462
_journal_volume                  18
_journal_year                    2016
_chemical_formula_moiety         'C15 H20 N O5 P'
_chemical_formula_sum            'C15 H20 N O5 P'
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_cell_length_a                   9.3895(5)
_cell_length_b                   11.8119(6)
_cell_length_c                   16.7592(8)
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_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      27.89
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_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
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_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      296(2)
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_diffrn_measured_fraction_theta_max 0.995
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_diffrn_reflns_limit_k_min       -14
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_diffrn_reflns_theta_min         2.68
_exptl_absorpt_coefficient_mu    0.191
_exptl_absorpt_correction_T_max  0.9811
_exptl_absorpt_correction_T_min  0.9378
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS(BRUKER,2006)
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.331
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
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_exptl_crystal_size_max          0.34
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_refine_diff_density_max         1.332
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_refine_ls_extinction_method     none
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_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     203
_refine_ls_number_reflns         2848
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.178
_refine_ls_R_factor_all          0.0829
_refine_ls_R_factor_gt           0.0789
_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^)+(0.0165P)^2^+5.8043P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1551
_refine_ls_wR_factor_ref         0.1573
_reflns_number_gt                2691
_reflns_number_total             2848
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ol5b03462_si_003.cif
_cod_data_source_block           mo_spm_02_0m
_cod_depositor_comments
;
The following automatic conversions were performed:

'_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 4268 2015-11-12 08:31:59Z antanas 

 Adding full bibliography for 1540743--1540745.cif.
;
_cod_original_cell_volume        1623.76(14)
_cod_original_sg_symbol_H-M      P2(1)/c
_cod_database_code               1540743