Information card for entry 8102502

Structure parameters

• Formula: C19 H14 O2
• Calculated formula: C19 H14 O2
• Title of publication: Crystal structure of 2-benzoyl-6-hydroxy-6-phenylpentafulvene, C19H14O2
• Authors of publication: Barbara Enk; Benno Bildstein; Klaus Wurst
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2009
• Journal volume: 224
• Journal issue: 4
• Pages of publication: 544
• a: 10.5756 ± 0.0004 Å
• b: 15.5721 ± 0.0004 Å
• c: 17.4233 ± 0.0005 Å
• α: 90°
• β: 97.692 ± 0.002°
• γ: 90°
• Cell volume: 2843.53 ± 0.15 ų
• Cell temperature: 233 ± 2 K
• Ambient diffraction temperature: 233 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0557
• Residual factor for significantly intense reflections: 0.0394
• Weighted residual factors for significantly intense reflections: 0.0942
• Weighted residual factors for all reflections included in the refinement: 0.1013
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No