Information card for entry 2201445

Structure parameters

• Chemical name: 10-Acetonyl-10-hydroxyphenanthren-9(10H)-one
• Formula: C17 H14 O3
• Calculated formula: C17 H14 O3
• SMILES: OC1(C(=O)c2ccccc2c2ccccc12)CC(=O)C
• Title of publication: 10-Acetonyl-10-hydroxyphenanthren-9(10<i>H</i>)-one
• Authors of publication: Anwar Usman; Ibrahim Abdul Razak; Hoong-Kun Fun; Suchada Chantrapromma; Yan Zhang; Jian-Hua Xu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 8
• Pages of publication: o956 - o958
• a: 9.224 ± 0.0008 Å
• b: 15.2406 ± 0.0009 Å
• c: 9.2898 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1305.95 ± 0.18 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 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: 0.07
• Residual factor for significantly intense reflections: 0.0551
• Weighted residual factors for significantly intense reflections: 0.1108
• Weighted residual factors for all reflections included in the refinement: 0.1168
• Goodness-of-fit parameter for all reflections included in the refinement: 0.988
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes