4-Alkoxycarbonyl- and Aminocarbonyl-Substituted Isoxazoles as Masked Acrylates and Acrylamides in the Asymmetric Synthesis of Δ^2^-Isoxazolines
Connie K. Y. Lee; Anthony J. Herlt; Gregory W. Simpson; Anthony C. Willis; Christopher J. Easton; Journal of Organic Chemistry 71 (2006) 3221–3231; doi:10.1021/jo0602569

data_4021645
_publ_contact_author_address
;
Research School of Chemistry,
Australian National University,
Canberra, ACT 0200, Australia
;
_publ_contact_author_email       ' easton@rsc.anu.edu.au '
_publ_contact_author_fax         ' 61 2 6125 8114 '
_publ_contact_author_name        ' Christopher J. Easton '
_publ_contact_author_phone       ' 61 2 6125 8201 '
_publ_section_title
;
 4-Alkoxycarbonyl- and Aminocarbonyl-Substituted Isoxazoles
 as Masked Acrylates and Acrylamides in the Asymmetric
 Synthesis of \D^2^-Isoxazolines
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              3221
_journal_page_last               3231
_journal_paper_doi               10.1021/jo0602569
_journal_volume                  71
_journal_year                    2006
_chemical_formula_moiety         'C24 H31 N O3 '
_chemical_formula_sum            'C24 H31 N O3'
_chemical_formula_weight         381.51
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_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
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_audit_creation_date             2001-08-22
_audit_creation_method           'by teXsan v1.8'
_audit_update_record
;
2001-08-22 - Report on C24 H31 N O3
             by Anthony C. Willis
             for Connie K. Y. Lee and Christopher J. Easton
2001-08-22 - passes checkcif tests with minor warnings
;
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_cell_angle_gamma                91.459(3)
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_cell_length_c                   16.9445(7)
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_cell_measurement_temperature    200.0
_cell_measurement_theta_max      27.485
_cell_measurement_theta_min      2.546
_cell_volume                     1029.37(6)
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_computing_data_collection       KappaCCD
_computing_data_reduction        'Denzo and Scalepak (Otwinowski & Minor, 1997)'
_computing_publication_material  'teXsan (MSC, 1992-1997)'
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_computing_structure_solution
;
SIR92 (Altomare, et. al. 1994)
;
_diffrn_ambient_temperature      200.0
_diffrn_measured_fraction_theta_full .997
_diffrn_measured_fraction_theta_max .997
_diffrn_measurement_device_type  'Nonius KappaCCD'
_diffrn_measurement_method       ' \f and \w scans with CCD '
_diffrn_orient_matrix_type       X=UH
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_diffrn_radiation_detector       CCD
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_exptl_absorpt_coefficient_mu    0.080
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_exptl_absorpt_process_details
;
multi-scan from symmetry-related measurements 
 Sortav (Blessing 1995) inplemented in maXus (2000)
;
_exptl_crystal_colour            colourless
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_exptl_crystal_size_min          0.08
_refine_diff_density_max         0.15
_refine_diff_density_min         -0.16
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   0.930
_refine_ls_goodness_of_fit_ref   1.064
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_constraints    0
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_refine_ls_shift/su_max          0.0004
_refine_ls_shift/su_mean         0.0001
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^(Fo)] '
_refine_ls_weighting_scheme      sigma
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_refine_ls_wR_factor_ref         0.0426
_reflns_number_gt                2365
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_reflns_threshold_expression     I>2.00\s(I)
_cod_data_source_file            jo0602569si20060207_061135.cif
_cod_original_sg_symbol_H-M      'P -1       '
_cod_original_formula_sum        'C24 H31 N O3 '
_cod_database_code               4021645