Information card for entry 5000049

Structure parameters

• Chemical name: Acetone
• Formula: C3 H6 O
• Calculated formula: C5 H12 O
• Authors of publication: J.C.Huffman
• Journal of publication: Private Communication
• Year of publication: 2001
• a: 6.3925 ± 0.0017 Å
• b: 5.3424 ± 0.0014 Å
• c: 10.733 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 366.546 ų
• Ambient diffraction temperature: 113 K
• Number of distinct elements: 3
• Space group number: 57
• Hermann-Mauguin space group symbol: P b c m
• Hall space group symbol: -P 2c 2b
• Residual factor for significantly intense reflections: 0.0491
• Weighted residual factors for significantly intense reflections: 0.0491
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No