Asymmetric allylic alkylation of isatin-derived morita-baylis-hillman carbonates with nitroalkanes.
Chen, Guo-Ying; Zhong, Fangrui; Lu, Yixin; Organic letters 14 (2012) 3955–3957; doi:10.1021/ol301962e

data_1508355
_publ_section_title
;
 Asymmetric allylic alkylation of isatin-derived morita-baylis-hillman
 carbonates with nitroalkanes.
;
_journal_issue                   15
_journal_name_full               'Organic letters'
_journal_page_first              3955
_journal_page_last               3957
_journal_paper_doi               10.1021/ol301962e
_journal_volume                  14
_journal_year                    2012
_chemical_absolute_configuration ad
_chemical_formula_sum            'C16 H17 Br N2 O5'
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_cell_length_c                   19.0616(12)
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_cell_measurement_temperature    223(2)
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_cell_volume                     1752.69(19)
_computing_cell_refinement       'Bruker SMART'
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_diffrn_ambient_temperature      223(2)
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_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
_diffrn_radiation_source         'fine-focus sealed tube'
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_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Sadabs, (Sheldrick 2001)'
_exptl_crystal_colour            Colourless
_exptl_crystal_density_diffrn    1.505
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_exptl_crystal_F_000             808
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_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
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_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0296P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_cod_data_source_file            ol301962e_si_002.cif
_cod_data_source_block           b375
_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.

'_exptl_absorpt_correction_type' value 'Multi-scan'
changed to 'multi-scan' 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 1891 2012-01-12 08:04:46Z andrius 

The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'not measured' 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      P2(1)2(1)2(1)
_cod_database_code               1508355