Information card for entry 2014316

Structure parameters

• Chemical name: n-hexadecanoic acid
• Formula: C16 H32 O2
• Calculated formula: C16 H32 O2
• SMILES: OC(=O)CCCCCCCCCCCCCCC
• Title of publication: The <i>C</i> form of <i>n</i>-hexadecanoic acid
• Authors of publication: Moreno, Evelyn; Cordobilla, Raquel; Calvet, Teresa; Lahoz, Fernando J.; Balana, Ana I.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 3
• Pages of publication: o129 - o131
• a: 35.62 ± 0.011 Å
• b: 4.9487 ± 0.0016 Å
• c: 9.406 ± 0.003 Å
• α: 90°
• β: 90.447 ± 0.005°
• γ: 90°
• Cell volume: 1658 ± 0.9 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: 0.1283
• Residual factor for significantly intense reflections: 0.0921
• Weighted residual factors for significantly intense reflections: 0.2406
• Weighted residual factors for all reflections included in the refinement: 0.2625
• Goodness-of-fit parameter for all reflections included in the refinement: 1.126
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No