Information card for entry 4116155

Structure parameters

• Common name: Suberic acid
• Chemical name: Octane-1,8-dioic acid
• Formula: C8 H14 O4
• Calculated formula: C4 H7 O2
• Title of publication: The Melting Point Alternation in α,ω-Alkanedicarboxylic Acids
• Authors of publication: Venkat R. Thalladi; Markus Nüsse; Roland Boese
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2000
• Journal volume: 122
• Pages of publication: 9227 - 9236
• a: 8.98 ± 0.004 Å
• b: 5.063 ± 0.0014 Å
• c: 10.106 ± 0.003 Å
• α: 90°
• β: 98.18 ± 0.04°
• γ: 90°
• Cell volume: 454.8 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0725
• Residual factor for significantly intense reflections: 0.0582
• Weighted residual factors for all reflections: 0.1475
• Weighted residual factors for significantly intense reflections: 0.1396
• Goodness-of-fit parameter for all reflections: 0.911
• Goodness-of-fit parameter for significantly intense reflections: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No