Information card for entry 2009481

Structure parameters

• Formula: C18 H36 O2
• Calculated formula: C18 H36 O2
• SMILES: CCCCCCCCCCCCCCCCCC(=O)O
• Title of publication: Double-layered polytypic structure of the B form of octadecanoic acid, C~18~H~36~O~2~
• Authors of publication: Kaneko, F.; Sakashita, H.; Kobayashi, M.; Kitagawa, Y.; Matsuura, Y.; Suzuki, M.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1994
• Journal volume: 50
• Journal issue: 2
• Pages of publication: 245 - 247
• a: 7.404 ± 0.001 Å
• b: 5.591 ± 0.001 Å
• c: 87.662 ± 0.009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3628.8 ± 0.9 ų
• Cell temperature: 296 K
• Number of distinct elements: 3
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for significantly intense reflections: 0.062
• Weighted residual factors for significantly intense reflections: 0.086
• Goodness-of-fit parameter for significantly intense reflections: 1.66
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No