Information card for entry 2201107

Structure parameters

• Formula: C16 H26
• Calculated formula: C16 H26
• SMILES: C(CCCCCc1ccccc1)CCCC
• Title of publication: 1-Phenyldecane
• Authors of publication: Merz, Klaus
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 4
• Pages of publication: o450 - o451
• a: 5.1428 ± 0.0016 Å
• b: 8.908 ± 0.003 Å
• c: 31.687 ± 0.011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1451.6 ± 0.8 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 2
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0748
• Residual factor for significantly intense reflections: 0.0433
• Weighted residual factors for significantly intense reflections: 0.1049
• Weighted residual factors for all reflections included in the refinement: 0.1238
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes