Information card for entry 4115756

Structure parameters

• Common name: (E)-stilbene
• Chemical name: (E)-1,2-diphenylethene
• Formula: C14 H12
• Calculated formula: C14 H12
• Title of publication: Invisible but Common Motion in Organic Crystals: A Pedal Motion in Stilbenes and Azobenzenes
• Authors of publication: Jun Harada; Keiichiro Ogawa
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2001
• Journal volume: 123
• Pages of publication: 10884 - 10888
• a: 12.2995 ± 0.0006 Å
• b: 5.6766 ± 0.0003 Å
• c: 15.5154 ± 0.0007 Å
• α: 90°
• β: 111.982 ± 0.001°
• γ: 90°
• Cell volume: 1004.52 ± 0.09 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 2
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.0431
• Residual factor for significantly intense reflections: 0.0397
• Weighted residual factors for significantly intense reflections: 0.1082
• Weighted residual factors for all reflections included in the refinement: 0.111
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No