Effect of high pressure on the organocatalytic asymmetric Michael reaction: highly enantioselective synthesis of γ-nitroketones with quaternary stereogenic centers.
Kwiatkowski, Piotr; Dudziński, Krzysztof; Łyżwa, Dawid; Organic letters 13 (2011) 3624–3627; doi:10.1021/ol201275h

data_1502277
_publ_section_title
;
 Effect of high pressure on the organocatalytic asymmetric Michael
 reaction: highly enantioselective synthesis of \g-nitroketones with
 quaternary stereogenic centers.
;
_journal_issue                   14
_journal_name_full               'Organic letters'
_journal_page_first              3624
_journal_page_last               3627
_journal_paper_doi               10.1021/ol201275h
_journal_volume                  13
_journal_year                    2011
_chemical_absolute_configuration ad
_chemical_formula_moiety         'C14 H15 Br N2 O2'
_chemical_formula_sum            'C14 H15 Br N2 O2'
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_cell_length_a                   9.10060(10)
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_cell_length_c                   14.3954(2)
_cell_measurement_reflns_used    35427
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      28.7373
_cell_measurement_theta_min      3.3253
_cell_volume                     1319.93(4)
_computing_cell_refinement
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CrysAlisPro, Agilent Technologies,
Version 1.171.35.4 (release 09-12-2010 CrysAlis171 .NET)
(compiled Dec  9 2010,10:47:41)
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_computing_data_collection
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CrysAlisPro, Agilent Technologies,
Version 1.171.35.4 (release 09-12-2010 CrysAlis171 .NET)
(compiled Dec  9 2010,10:47:41)
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_computing_data_reduction
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CrysAlisPro, Agilent Technologies,
Version 1.171.35.4 (release 09-12-2010 CrysAlis171 .NET)
(compiled Dec  9 2010,10:47:41)
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_computing_molecular_graphics    'ortep, Wingx, Mercury'
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CrysAlisPro, Agilent Technologies,
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(compiled Dec  9 2010,10:47:41)
Empirical absorption correction using spherical harmonics,
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_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.626
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_exptl_crystal_description       prismatic
_exptl_crystal_F_000             656
_exptl_crystal_size_max          0.50
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'Flack H D (1983), Acta Cryst. A39, 876-881 1279 Friedel pairs'
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_refine_ls_number_reflns         3017
_refine_ls_number_restraints     0
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_refine_ls_R_factor_all          0.0173
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_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0240P)^2^+0.2833P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0399
_refine_ls_wR_factor_ref         0.0406
_reflns_number_gt                2945
_reflns_number_total             3017
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