Information card for entry 7219346

Structure parameters

• Common name: 1,4-Dioxane-2,5-dione
• Chemical name: Glycolide
• Formula: C4 H4 O4
• Calculated formula: C4 H4 O4
• Title of publication: Polymorphism of a polymer precursor: metastable glycolide polymorph recovered via large scale high-pressure experiments
• Authors of publication: Hutchison, Ian B.; Delori, Amit; Wang, Xiao; Kamenev, Konstantin V.; Urquhart, Andrew J.; Oswald, Iain D. H.
• Journal of publication: CrystEngComm
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 8
• Pages of publication: 1778
• a: 5.2399 ± 0.0002 Å
• b: 7.4388 ± 0.0003 Å
• c: 11.7763 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 459.02 ± 0.03 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 3
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0424
• Residual factor for significantly intense reflections: 0.0417
• Weighted residual factors for all reflections: 0.0929
• Weighted residual factors for significantly intense reflections: 0.0921
• Weighted residual factors for all reflections included in the refinement: 0.0929
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9594
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No