Alkyl levulinates as `green chemistry' precursors: butane-1,4-diyl bis(4-oxopentanoate) and hexane-1,6-diyl bis(4-oxopentanoate)
Gainsford, Graeme J.; Hinkley, Simon; Acta Crystallographica Section C 69 (2013) 654–657; doi:10.1107/S0108270113011980

data_2019007
_publ_section_title
;
 Alkyl levulinates as `green chemistry' precursors: butane-1,4-diyl
 bis(4-oxopentanoate) and hexane-1,6-diyl bis(4-oxopentanoate)
;
_journal_coeditor_code           UK3066
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              654
_journal_page_last               657
_journal_paper_doi               10.1107/S0108270113011980
_journal_volume                  69
_journal_year                    2013
_chemical_formula_iupac          'C14 H22 O6'
_chemical_formula_moiety         'C14 H22 O6'
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_chemical_name_systematic
;
Butane-1,4-diyl bis(4-oxopentanoate)
;
_space_group_crystal_system      monoclinic
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_space_group_name_Hall           '-P 2ybc'
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_symmetry_space_group_name_Hall  '-P 2ybc'
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;
ORTEP in WinGX (Farrugia, 2012) and Mercury (Macrae <i>et al.</i>,
2008)
;
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;
SHELXL2012 (Sheldrick, 2008) and PLATON (Spek, 2009)
;
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'Oxford SuperNova Dual diffractometer (Cu at zero) with Atlas detector'
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_diffrn_reflns_theta_min         3.511
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_refine_ls_extinction_method     none
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_refine_ls_number_reflns         1486
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_refine_ls_R_factor_all          0.0406
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w = 1/[\s^2^(Fo^2^)+(0.0471P)^2^+0.2444P] where P=(Fo^2^+2Fc^2^)/3'
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_reflns_threshold_expression     I>2\s(I)
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_shelxl_version_number           .000002012