Information card for entry 2223005

Structure parameters

• Chemical name: 4<i>H</i>-cyclopenta[<i>def</i>]phenanthren-4-one
• Formula: C15 H8 O
• Calculated formula: C15 H8 O
• SMILES: O=C1c2cccc3c2c2c1cccc2cc3
• Title of publication: 4<i>H</i>-Cyclopenta[<i>def</i>]phenanthren-4-one
• Authors of publication: Jiang, Wen-Sheng; Sun, Di; Xie, Su-Yuan; Huang, Rong-Bin; Zheng, Lan-Sun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 9
• Pages of publication: o2105
• a: 7.7884 ± 0.0005 Å
• b: 15.1558 ± 0.0008 Å
• c: 17.0236 ± 0.001 Å
• α: 100.588 ± 0.005°
• β: 101.065 ± 0.005°
• γ: 91.824 ± 0.005°
• Cell volume: 1933.8 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0955
• Residual factor for significantly intense reflections: 0.0512
• Weighted residual factors for significantly intense reflections: 0.1159
• Weighted residual factors for all reflections included in the refinement: 0.1289
• Goodness-of-fit parameter for all reflections included in the refinement: 0.928
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes