Information card for entry 2200853

Structure parameters

• Common name: n-decane
• Chemical name: n-decane
• Formula: C10 H22
• Calculated formula: C10 H22
• SMILES: CCCCCCCCCC
• Title of publication: <i>n</i>-Decane
• Authors of publication: Bond, Andrew D.; Davies, John E.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 2
• Pages of publication: o196 - o197
• a: 4.1741 ± 0.0004 Å
• b: 4.7239 ± 0.0006 Å
• c: 13.5066 ± 0.0015 Å
• α: 85.974 ± 0.001°
• β: 81.463 ± 0.007°
• γ: 74.652 ± 0.006°
• Cell volume: 253.85 ± 0.05 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 2
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0682
• Residual factor for significantly intense reflections: 0.0541
• Weighted residual factors for significantly intense reflections: 0.1676
• Weighted residual factors for all reflections included in the refinement: 0.1807
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes