Information card for entry 7235017

Structure parameters

• Formula: C20 H12 N2
• Calculated formula: C20 H12 N2
• Title of publication: Characterization of a P-type photomechanical molecular crystal based on the E -> Z photoisomerization of 9-divinylanthracene malonitrile
• Authors of publication: Lingyan Zhu; Fei Tong; Norhan Zaghloul; Omar Baz; Christopher J. Bardeen; Rabih O. Al-Kaysi
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2016
• Journal volume: 4
• Pages of publication: 8245 - 8252
• a: 19.293 ± 0.003 Å
• b: 4.0674 ± 0.0007 Å
• c: 20.37 ± 0.004 Å
• α: 90°
• β: 118.107 ± 0.003°
• γ: 90°
• Cell volume: 1410 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0809
• Residual factor for significantly intense reflections: 0.0519
• Weighted residual factors for significantly intense reflections: 0.1248
• Weighted residual factors for all reflections included in the refinement: 0.1413
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No