Enantioselective Total Synthesis of the Mexicanolides: Khayasin, Proceranolide, and Mexicanolide
Jonathan M. Faber; Wilhelm A. Eger; Craig M. Williams; Journal of Organic Chemistry 77 (2012) 8913–8921; doi:10.1021/jo301182f

data_4027575
_publ_section_title
;
 Enantioselective Total Synthesis of the Mexicanolides: Khayasin,
 Proceranolide, and Mexicanolide
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              8913
_journal_page_last               8921
_journal_paper_doi               10.1021/jo301182f
_journal_volume                  77
_journal_year                    2012
_chemical_absolute_configuration ad
_chemical_compound_source        'synthesis as described'
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;
        CrysAlisPro, Oxford Diffraction Ltd.,
        Version 1.171.33.66 (release 28-04-2010 CrysAlis171 .NET)
        (compiled Apr 28 2010,14:27:37)
;
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        CrysAlisPro, Oxford Diffraction Ltd.,
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;
_computing_data_reduction
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        CrysAlisPro, Oxford Diffraction Ltd.,
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        (compiled Apr 28 2010,14:27:37)
;
_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 1997)'
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_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 16.0696
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_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Xcalibur, Sapphire3, Gemini ultra'
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_diffrn_orient_matrix_UB_22      0.076393
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_diffrn_orient_matrix_UB_33      -0.0708902
_diffrn_radiation_monochromator  graphite
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_diffrn_radiation_type           CuK\a
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_exptl_absorpt_coefficient_mu    0.744
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_exptl_absorpt_process_details
;
        CrysAlisPro, Oxford Diffraction Ltd.,
        Version 1.171.33.66 (release 28-04-2010 CrysAlis171 .NET)
        (compiled Apr 28 2010,14:27:37)
        empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            colourless
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_exptl_crystal_description       prism
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_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   -0.18(16)
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_refine_ls_matrix_type           full
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_refine_ls_number_reflns         3817
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.033
_refine_ls_R_factor_all          0.0415
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_refine_ls_shift/su_max          0
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0589P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0838
_refine_ls_wR_factor_ref         0.0866
_reflns_number_gt                3264
_reflns_number_total             3817
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            jo301182f_si_002.cif
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