Information card for entry 2208145

Structure parameters

• Chemical name: 2-Methyl-4-phenylbuta-2,3-dien-1-ol
• Formula: C11 H12 O
• Calculated formula: C11 H12 O
• SMILES: OCC(=C=Cc1ccccc1)C
• Title of publication: 2-Methyl-4-phenylbuta-2,3-dien-1-ol
• Authors of publication: Lee, Ja-Young; Schürmann, Markus; Preut, Hans; Krause, Norbert
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 2
• Pages of publication: o550 - o551
• a: 24.379 ± 0.006 Å
• b: 9.601 ± 0.002 Å
• c: 7.991 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1870.4 ± 0.9 ų
• Cell temperature: 173 ± 1 K
• Ambient diffraction temperature: 173 ± 1 K
• Number of distinct elements: 3
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.1766
• Residual factor for significantly intense reflections: 0.0392
• Weighted residual factors for significantly intense reflections: 0.063
• Weighted residual factors for all reflections included in the refinement: 0.0841
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No