Information card for entry 2208821

Structure parameters

• Chemical name: 1-(2-hydroxyphenyl)octan-1-one
• Formula: C14 H20 O2
• Calculated formula: C14 H20 O2
• SMILES: O=C(CCCCCCC)c1ccccc1O
• Title of publication: 1-(2-Hydroxyphenyl)octan-1-one
• Authors of publication: Xu Bin; Ji, Jin-Xiu; Fen, Zhi-Qiang; Wang, Jin-Tang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 5
• Pages of publication: o1793 - o1794
• a: 6.856 ± 0.0014 Å
• b: 8.485 ± 0.0017 Å
• c: 11.547 ± 0.002 Å
• α: 95.2 ± 0.03°
• β: 102.54 ± 0.03°
• γ: 93.15 ± 0.03°
• Cell volume: 651.1 ± 0.2 ų
• Cell temperature: 288 ± 2 K
• Ambient diffraction temperature: 288 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.132
• Residual factor for significantly intense reflections: 0.0598
• Weighted residual factors for significantly intense reflections: 0.1358
• Weighted residual factors for all reflections included in the refinement: 0.1701
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes