Information card for entry 7212400

Structure parameters

• Formula: C43 H34 N4
• Calculated formula: C43 H34 N4
• SMILES: N(c1ccc(N=Nc2ccc(cc2)C#N)cc1)(c1cc2c(cc1)c1ccccc1C2(C)C)c1cc2c(cc1)c1ccccc1C2(C)C
• Title of publication: Photoinduced vitrification near the surfaces of single crystals of azobenzene-based molecular materials with glass-forming ability.
• Authors of publication: Nakano, Hideyuki; Seki, Shu; Kageyama, Hiroshi
• Journal of publication: Physical chemistry chemical physics : PCCP
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 28
• Pages of publication: 7772 - 7774
• a: 16.5817 ± 0.0003 Å
• b: 11.9938 ± 0.0002 Å
• c: 17.3483 ± 0.0003 Å
• α: 90°
• β: 100.137 ± 0.0007°
• γ: 90°
• Cell volume: 3396.33 ± 0.1 ų
• Cell temperature: 296.2 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for significantly intense reflections: 0.0493
• Weighted residual factors for all reflections included in the refinement: 0.1623
• Goodness-of-fit parameter for all reflections included in the refinement: 2.112
• Diffraction radiation wavelength: 1.5419 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No