Information card for entry 2001729

Structure parameters

• Formula: C14 H20 O8
• Calculated formula: C14 H19 O8
• SMILES: C1(C(=O)OC(OC1=O)(C)C)(CC(=O)OCC)CC(=O)OCC
• Title of publication: Structure of a hexasubstituted 1,3-dioxane compound derived from Meldrum's acid: C~4~O~4~(CH~3~)~2~(CH~2~CO~2~C~2~H~5~)~2~
• Authors of publication: Jiang, A.; Hong, L.; See, R. F.; Churchill, M. R.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1993
• Journal volume: 49
• Journal issue: 5
• Pages of publication: 1000 - 1001
• a: 17.696 ± 0.004 Å
• b: 10.36 ± 0.002 Å
• c: 8.733 ± 0.001 Å
• α: 90°
• β: 93.47 ± 0.02°
• γ: 90°
• Cell volume: 1598.1 ± 0.5 ų
• Cell temperature: 295 K
• Number of distinct elements: 3
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Goodness-of-fit parameter for significantly intense reflections: 1.6
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No