Information card for entry 1513769

Structure parameters

• Formula: C26 H20
• Calculated formula: C26 H20
• SMILES: C(=C(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Direct evidence to support the restriction of intramolecular rotation hypothesis for the mechanism of aggregation-induced emission: temperature resolved terahertz spectra of tetraphenylethene
• Authors of publication: Parrott, Edward P. J.; Tan, Nicholas Y.; Hu, Rongrong; Zeitler, J. Axel; Tang, Ben Zhong; Pickwell-MacPherson, Emma
• Journal of publication: Materials Horizons
• Year of publication: 2014
• Journal volume: 1
• Journal issue: 2
• Pages of publication: 251
• a: 9.837 ± 0.0007 Å
• b: 9.5017 ± 0.0006 Å
• c: 10.7087 ± 0.0008 Å
• α: 90°
• β: 107.165 ± 0.008°
• γ: 90°
• Cell volume: 956.34 ± 0.12 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 2
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0523
• Residual factor for significantly intense reflections: 0.0486
• Weighted residual factors for significantly intense reflections: 0.1273
• Weighted residual factors for all reflections included in the refinement: 0.132
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No