Information card for entry 1516489

Structure parameters

• Formula: C27 H23 N O
• Calculated formula: C27 H23 N O
• SMILES: O(c1ccc(/C=C/c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1)C
• Title of publication: Origin of the N-methyl and N-phenyl substituent effects on the fluorescence vibronic structures of trans-4-aminostilbene and its derivatives in hexane
• Authors of publication: Yang, Jye-Shane; Wang, Chin-Min; Hwang, Chung-Yu; Liau, Kang-Ling; Chiou, Shih-Yi
• Journal of publication: Photochemical & Photobiological Sciences
• Year of publication: 2003
• Journal volume: 2
• Journal issue: 11
• Pages of publication: 1225 - 1231
• a: 10.872 ± 0.002 Å
• b: 23.494 ± 0.005 Å
• c: 24.378 ± 0.005 Å
• α: 90°
• β: 93.585 ± 0.005°
• γ: 90°
• Cell volume: 6215 ± 2 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.2682
• Residual factor for significantly intense reflections: 0.1055
• Weighted residual factors for significantly intense reflections: 0.2354
• Weighted residual factors for all reflections included in the refinement: 0.2901
• Goodness-of-fit parameter for all reflections included in the refinement: 0.972
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No