Information card for entry 2211058

Structure parameters

• Chemical name: 1-(4-hydroxyphenyl)pentan-1-one
• Formula: C11 H14 O2
• Calculated formula: C11 H14 O2
• SMILES: O=C(CCCC)c1ccc(O)cc1
• Title of publication: 1-(4-Hydroxyphenyl)pentan-1-one
• Authors of publication: Luo, Zhong-Hua; Zhu, Hong-Jun; Liu, Shan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 11
• Pages of publication: o5054 - o5055
• a: 9.99 ± 0.002 Å
• b: 10.454 ± 0.002 Å
• c: 9.882 ± 0.002 Å
• α: 90°
• β: 107.46 ± 0.03°
• γ: 90°
• Cell volume: 984.5 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0926
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for significantly intense reflections: 0.1183
• Weighted residual factors for all reflections included in the refinement: 0.1393
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes