Information card for entry 4118950

Structure parameters

• Formula: C17 H12 O2
• Calculated formula: C17 H12 O2
• Title of publication: Synthesis of Chamaecypanone C Analogues fromin Situ-Generated Cyclopentadienones and Their Biological Evaluation
• Authors of publication: Suwei Dong; Tian Qin; Ernest Hamel; John A. Beutler; John A. Porco
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2012
• Journal volume: 134
• Pages of publication: 19782 - 19787
• a: 7.0714 ± 0.0002 Å
• b: 7.1363 ± 0.0002 Å
• c: 25.0858 ± 0.0008 Å
• α: 92.515 ± 0.002°
• β: 92.582 ± 0.002°
• γ: 90.047 ± 0.002°
• Cell volume: 1263.41 ± 0.06 ų
• Cell temperature: 99 ± 2 K
• Ambient diffraction temperature: 99 ± 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: 0.0596
• Residual factor for significantly intense reflections: 0.05
• Weighted residual factors for significantly intense reflections: 0.1349
• Weighted residual factors for all reflections included in the refinement: 0.1426
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No