Information card for entry 4115758

Structure parameters

• Chemical name: (E)-3,3',4,4'-tetramethylazobenzene
• Formula: C16 H18 N2
• Calculated formula: C16 H18 N2
• SMILES: c1(cc(c(cc1)C)C)/N=N/c1cc(c(cc1)C)C
• Title of publication: Invisible but Common Motion in Organic Crystals: A Pedal Motion in Stilbenes and Azobenzenes
• Authors of publication: Jun Harada; Keiichiro Ogawa
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2001
• Journal volume: 123
• Pages of publication: 10884 - 10888
• a: 6.81 ± 0.01 Å
• b: 7.207 ± 0.011 Å
• c: 7.793 ± 0.012 Å
• α: 67.39 ± 0.03°
• β: 73.82 ± 0.03°
• γ: 79.93 ± 0.03°
• Cell volume: 338.1 ± 0.9 ų
• Cell temperature: 373 K
• Ambient diffraction temperature: 373 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0759
• Residual factor for significantly intense reflections: 0.056
• Weighted residual factors for significantly intense reflections: 0.1654
• Weighted residual factors for all reflections included in the refinement: 0.1837
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No