Information card for entry 2200095

Structure parameters

• Common name: azelaic acid
• Chemical name: heptane-1,7-dicarboxylic acid
• Formula: C9 H16 O4
• Calculated formula: C9 H16 O4
• SMILES: OC(=O)CCCCCCCC(=O)O
• Title of publication: Azelaic 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: o143 - o144
• a: 22.622 ± 0.002 Å
• b: 4.7348 ± 0.0002 Å
• c: 9.6864 ± 0.0007 Å
• α: 90°
• β: 110.559 ± 0.003°
• γ: 90°
• Cell volume: 971.44 ± 0.12 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.047
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for all reflections included in the refinement: 0.096
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes