Information card for entry 5000194

Structure parameters

• Formula: C4 H6 O2
• Calculated formula: C8 H12 O4
• Title of publication: Crystal and molecular structure of biacetyl (2,3-butanedione), (H~3~CCO)~2~, at -12 and -100 °C
• Authors of publication: Eriks, K.; Hayden, T. D.; Yang, S. Hsi; Chan, I. Y.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 1983
• Journal volume: 105
• Journal issue: 12
• Pages of publication: 3940 - 3942
• a: 7.514 ± 0.029 Å
• b: 5.249 ± 0.022 Å
• c: 6.552 ± 0.021 Å
• α: 90°
• β: 116.1 ± 0.3°
• γ: 90°
• Cell volume: 232.07 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