Information card for entry 4113008

Structure parameters

• Formula: C21 H16 N2
• Calculated formula: C21 H16 N2
• SMILES: N(c1ccc(/C=C/c2ccccc2)cc1)c1ccc(cc1)C#N
• Title of publication: Substituent-Dependent Photoinduced Intramolecular Charge Transfer in N-Aryl-Substituted trans-4-Aminostilbenes
• Authors of publication: Jye-Shane Yang; Kang-Ling Liau; Chin-Min Wang; Chung-Yu Hwang
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2004
• Journal volume: 126
• Pages of publication: 12325 - 12335
• a: 10.3733 ± 0.0011 Å
• b: 26.427 ± 0.003 Å
• c: 5.8341 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1599.3 ± 0.3 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 3
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.1056
• Residual factor for significantly intense reflections: 0.0442
• Weighted residual factors for significantly intense reflections: 0.0732
• Weighted residual factors for all reflections included in the refinement: 0.0856
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No