A cascade approach to cyclic aminonitrones: reaction discovery, mechanism, and scope.
Sharma, Rojita; Bulger, Paul G.; McNevin, Michael; Dormer, Peter G.; Ball, Richard G.; Streckfuss, Eric; Cuff, James F.; Yin, Jingjun; Chen, Cheng-yi; Organic letters 11 (2009) 3194–3197; doi:10.1021/ol9010147

data_1503983
_publ_section_title
;
 A cascade approach to cyclic aminonitrones: reaction discovery,
 mechanism, and scope.
;
_journal_issue                   15
_journal_name_full               'Organic letters'
_journal_page_first              3194
_journal_page_last               3197
_journal_paper_doi               10.1021/ol9010147
_journal_volume                  11
_journal_year                    2009
_chemical_formula_moiety         'C11 H20 N2 O2'
_chemical_formula_sum            'C11 H20 N2 O2'
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_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ab 2ac'
_symmetry_space_group_name_H-M   'P c c n'
_audit_creation_date             2009-04-01
_audit_creation_method           'cif4actac using bulp0108b.cif'
_cell_angle_alpha                90.
_cell_angle_beta                 90.
_cell_angle_gamma                90.
_cell_formula_units_Z            8
_cell_length_a                   20.5261(2)
_cell_length_b                   12.69158(16)
_cell_length_c                   9.48439(11)
_cell_measurement_reflns_used    7085
_cell_measurement_temperature    100
_cell_measurement_theta_max      66.54
_cell_measurement_theta_min      3.48
_cell_volume                     2470.77(5)
_computing_cell_refinement
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.33.33 (release 06-02-2009 CrysAlis171 .NET)
(compiled Feb  6 2009,17:55:09)
;
_computing_data_collection
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.33.33 (release 06-02-2009 CrysAlis171 .NET)
(compiled Feb  6 2009,17:55:09)
;
_computing_data_reduction
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.33.33 (release 06-02-2009 CrysAlis171 .NET)
(compiled Feb  6 2009,17:55:09)
;
_computing_molecular_graphics
;
ORTEP3 (Johnson,2000), PLATON (Spek,1990),
PSPLUTO (local version of Motherwell's program)
;
_computing_publication_material  'locally developed programs'
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_diffrn_detector_type            'Oxford Diffraction Ruby CCD'
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device       '\k-geometry diffractometer'
_diffrn_measurement_device_type  'Oxford Diffraction Gemini R Ultra'
_diffrn_measurement_method       'omega scans'
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.5418
_diffrn_reflns_av_R_equivalents  0.025
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            13008
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_exptl_absorpt_coefficient_mu    0.633
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_refine_ls_hydrogen_treatment    constr
_refine_ls_number_parameters     138
_refine_ls_number_reflns         2189
_refine_ls_restrained_S_all      1.048
_refine_ls_R_factor_gt           0.033
_refine_ls_shift/su_max          0.003
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.085
_refine_ls_wR_factor_ref         0.088
_reflns_number_gt                1870
_reflns_number_total             2189
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ol9010147_si_002.cif
_cod_data_source_block           bulp0108b
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Orthorhombic' changed to
'orthorhombic' according to
/home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary named
'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_database_code               1503983