Information card for entry 2005831

Structure parameters

• Chemical name: 3-(4'-Methoxyphenyl)-2,2,4,4-tetramethylpentane
• Formula: C16 H26 O
• Calculated formula: C16 H26 O
• SMILES: COc1ccc(cc1)C(C(C)(C)C)C(C)(C)C
• Title of publication: Conformation of Crystalline 3-(4-Methoxyphenyl)-2,2,4,4-tetramethylpentane
• Authors of publication: Collins, D. J.; Fallon, G. D.; Jacobs, H. A.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 12
• Pages of publication: 3232 - 3234
• a: 13.793 ± 0.007 Å
• b: 8.247 ± 0.004 Å
• c: 13.699 ± 0.007 Å
• α: 90°
• β: 104.52 ± 0.01°
• γ: 90°
• Cell volume: 1508.5 ± 1.3 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for significantly intense reflections: 0.066
• Weighted residual factors for significantly intense reflections: 0.069
• Goodness-of-fit parameter for significantly intense reflections: 1.72
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No