Information card for entry 2200094

Structure parameters

• Common name: sebacic acid
• Chemical name: octane-1,8-dicarboxylic acid
• Formula: C10 H18 O4
• Calculated formula: C10 H18 O4
• SMILES: OC(=O)CCCCCCCCC(=O)O
• Title of publication: Sebacic acid
• Authors of publication: Bond, Andrew D.; Edwards, Marc R.; Jones, William
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 2
• Pages of publication: o141 - o142
• a: 10.9197 ± 0.0007 Å
• b: 4.9876 ± 0.0006 Å
• c: 9.964 ± 0.001 Å
• α: 90°
• β: 92.273 ± 0.006°
• γ: 90°
• Cell volume: 542.24 ± 0.09 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 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: 0.09
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for all reflections included in the refinement: 0.139
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes