Total Synthesis of Paralemnolide A.
Abe, Hideki; Ogura, Yuta; Kobayashi, Toyoharu; Ito, Hisanaka; Organic letters 19 (2017) 5996–5999; doi:10.1021/acs.orglett.7b03038

data_1547698
_publ_section_title
;
 Total Synthesis of Paralemnolide A.
;
_journal_issue                   21
_journal_name_full               'Organic letters'
_journal_page_first              5996
_journal_page_last               5999
_journal_paper_doi               10.1021/acs.orglett.7b03038
_journal_volume                  19
_journal_year                    2017
_chemical_formula_moiety         'C21 H25 Br O4'
_chemical_formula_sum            'C21 H25 Br O4'
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_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
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;
2016-11-30 # Formatted by publCIF

;
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pubCIF (Westrip, 2010) and enCIFer (Allen et al. 2004)
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'SHELXTL XT Intrinsic Phasing (Sheldrick, 2013)'
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_diffrn_radiation_monochromator  'Bruker Helios multilayer confocal mirror'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0190
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_diffrn_reflns_Laue_measured_fraction_full 0.999
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_diffrn_reflns_point_group_measured_fraction_full 0.999
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_diffrn_source                   'rotating anode'
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_exptl_absorpt_process_details
;
Crystal Faces plugin in Bruker APEX2 software
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_exptl_crystal_colour            colourless
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_exptl_crystal_description       block
_exptl_crystal_F_000             872
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_exptl_crystal_size_mid          0.108
_exptl_crystal_size_min          0.099
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_refine_ls_R_factor_all          0.0264
_refine_ls_R_factor_gt           0.0235
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0286P)^2^+1.3519P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0582
_refine_ls_wR_factor_ref         0.0596
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3194
_reflns_number_total             3483
_reflns_threshold_expression     'I > 2\s(I)'
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_cod_depositor_comments
'Adding full bibliography for 1547697--1547699.cif.'
_cod_database_code               1547698
_shelx_estimated_absorpt_t_min   0.649
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_shelx_res_checksum              31558
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