Information card for entry 5000164

Structure parameters

• Formula: C4 H8 O2
• Calculated formula: C8 H16 O4
• Title of publication: A study of the anomeric effect on an electronic scale: the electron density of 1,4-dioxane and trans-2,5-dichloro-1,4-dioxane
• Authors of publication: Koritsanszky, T.; Strumpel, M. K.; Buschmann, J.; Luger, P.; Hansen, N. K.; Pichon-Pesme, V.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 1991
• Journal volume: 113
• Journal issue: 24
• Pages of publication: 9148 - 9154
• a: 5.715 ± 0.002 Å
• b: 6.458 ± 0.002 Å
• c: 6.131 ± 0.002 Å
• α: 90°
• β: 99.89 ± 0.03°
• γ: 90°
• Cell volume: 222.92 ų
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No