Information card for entry 8101997

Structure parameters

• Common name: chalcone
• Chemical name: (E)-1,3-diphenyl-2-propen-1-one
• Formula: C15 H12 O
• Calculated formula: C15 H12 O
• Title of publication: Refinement of the crystal structure of (E)-1,3-diphenyl-2-propen-1- one, C~15~H~12~O
• Authors of publication: Wu, M.-H.; Yang, X.-H.; Zou, W.-D.; Liu, W.-J.; Li, C.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2006
• Journal volume: 221
• Journal issue: 3
• Pages of publication: 323 - 324
• a: 10.9322 ± 0.0011 Å
• b: 11.86 ± 0.0012 Å
• c: 17.996 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2333.3 ± 0.4 ų
• Cell temperature: 292 ± 2 K
• Ambient diffraction temperature: 292 ± 2 K
• Number of distinct elements: 3
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.101
• Residual factor for significantly intense reflections: 0.0625
• Weighted residual factors for significantly intense reflections: 0.1622
• Weighted residual factors for all reflections included in the refinement: 0.1826
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No