Stereocontrolled Synthesis of (-)-Bactobolin A.
Vojáčková, Petra; Michalska, Lucyna; Nečas, Marek; Shcherbakov, Dimitri; Böttger, Erik C; Šponer, Jiří; Šponer, Judit E; Švenda, Jakub; Journal of the American Chemical Society 142 (2020) 7306–7311; doi:10.1021/jacs.0c01554

data_4134727
_publ_section_title
;
 Stereocontrolled Synthesis of (-)-Bactobolin A.
;
_journal_issue                   16
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              7306
_journal_page_last               7311
_journal_paper_doi               10.1021/jacs.0c01554
_journal_volume                  142
_journal_year                    2020
_chemical_formula_sum            'C16 H22 Cl2 N O5'
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Rigaku CrystalClear-SM Expert 2.1 b32 (Rigaku, 2014)
MSCServDetCCD = {5.7.3.4}
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_diffrn_measured_fraction_theta_max 0.851
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_diffrn_radiation_type           MoK\a
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_exptl_absorpt_process_details
;
CrysAlisPro 1.171.38.46 (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            colourless
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
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'w=1/[\s^2^(Fo^2^)+(0.0480P)^2^+3.1004P] where P=(Fo^2^+2Fc^2^)/3'
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_reflns_number_gt                7991
_reflns_number_total             8788
_reflns_threshold_expression     'I > 2\s(I)'
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_cod_depositor_comments
'Adding full bibliography for 4134723--4134727.cif.'
_cod_database_code               4134727
_shelx_shelxl_version_number     2018/3
_shelx_estimated_absorpt_t_min   0.927
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