Enantioselective Synthesis of Cephalimysins B and C.
Chalupa, David; Vojáčková, Petra; Partl, Jiří; Pavlović, Dražen; Nečas, Marek; Švenda, Jakub; Organic letters 19 (2017) 750–753; doi:10.1021/acs.orglett.6b03373

data_1545474
_publ_section_title
;
 Enantioselective Synthesis of Cephalimysins B and C.
;
_journal_issue                   4
_journal_name_full               'Organic letters'
_journal_page_first              750
_journal_page_last               753
_journal_paper_doi               10.1021/acs.orglett.6b03373
_journal_volume                  19
_journal_year                    2017
_chemical_formula_sum            'C20 H16 O7'
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_cell_length_b                   10.2072(5)
_cell_length_c                   11.8614(5)
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CrysAlisPro, Agilent Technologies,
Version 1.171.37.31 (release 14-01-2014 CrysAlis171 .NET)
(compiled Jan 14 2014,18:38:05)
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Rigaku CrystalClear-SM Expert 2.1 b32 (Rigaku, 2014)
MSCServDetCCD = {5.7.3.4}
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CrysAlisPro, Agilent Technologies,
Version 1.171.37.31 (release 14-01-2014 CrysAlis171 .NET)
(compiled Jan 14 2014,18:38:05)
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_computing_structure_refinement  'SHELXL-2016/6 (Sheldrick, 2016)'
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_diffrn_radiation_type           MoK\a
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_diffrn_reflns_av_unetI/netI     0.0200
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_exptl_absorpt_coefficient_mu    0.109
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.83990
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CrysAlisPro, Agilent Technologies,
Version 1.171.37.31 (release 14-01-2014 CrysAlis171 .NET)
(compiled Jan 14 2014,18:38:05)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
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_exptl_crystal_density_diffrn    1.424
_exptl_crystal_description       block
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_refine_ls_matrix_type           full
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_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.091
_refine_ls_R_factor_all          0.0402
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0532P)^2^+0.2710P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0973
_refine_ls_wR_factor_ref         0.1007
_reflns_Friedel_coverage         0.000
_reflns_number_gt                2871
_reflns_number_total             3130
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            ol6b03373_si_003.cif
_cod_data_source_block           dpa112
_cod_database_code               1545474
_shelx_shelxl_version_number     2016/6
_shelx_estimated_absorpt_t_min   0.968
_shelx_estimated_absorpt_t_max   0.979
_shelx_res_checksum              76956
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