Diastereoselective synthesis of delta-aminoacids through domino Ireland-Claisen rearrangement and Michael addition.
Garrido, Narciso M.; García, Mercedes; Díez, David; Sánchez, M Rosa; Sanz, F.; Urones, Julio G.; Organic letters 10 (2008) 1687–1690; doi:10.1021/ol8001464

data_1504587
_publ_section_title
;
 Diastereoselective synthesis of delta-aminoacids through domino
 Ireland-Claisen rearrangement and Michael addition.
;
_journal_issue                   9
_journal_name_full               'Organic letters'
_journal_page_first              1687
_journal_page_last               1690
_journal_paper_doi               10.1021/ol8001464
_journal_volume                  10
_journal_year                    2008
_chemical_absolute_configuration rm
_chemical_formula_moiety         'C13 H15 N O3'
_chemical_formula_sum            'C13 H15 N O3'
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_atom_sites_solution_primary     direct
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_cell_angle_beta                 96.43(3)
_cell_angle_gamma                100.74(3)
_cell_formula_units_Z            2
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_cell_length_c                   11.765(2)
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_computing_data_collection       CRYSOM
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_computing_molecular_graphics    'Siemens SHELXTL'
_computing_publication_material  'Siemens SHELXTL'
_computing_structure_refinement  'SHELXL-93 (Sheldrick, 1993)'
_computing_structure_solution    'SHELXS-86 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device       'Seifert 3003SC'
_diffrn_measurement_method       2theta-omega
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           CuK\a
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_diffrn_standards_decay_%        'no decay, variation 0.5'
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_exptl_crystal_description       prismatic
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_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
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_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     SHELXL
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_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.1035P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         0.1256
_refine_ls_wR_factor_obs         0.1213
_reflns_number_observed          1612
_reflns_number_total             1832
_reflns_observed_criterion       >2sigma(I)
_cod_data_source_file            ol8001464-file001.cif
_cod_data_source_block           absofin
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
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_values 1715 2011-07-08 13:25:40Z adriana 

The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'calc
w=1/[\s^2^(Fo^2^)+(0.1035P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3' was
changed to 'calc'. New tag '_refine_ls_weighting_details' was
created. The value of the new tag was set to
'w=1/[\s^2^(Fo^2^)+(0.1035P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        623.1(2)
_cod_original_sg_symbol_H-M      P1
_cod_database_code               1504587