Information card for entry 4036494

Structure parameters

• Common name: cis-azobenzene-F
• Chemical name: (Z)-1-(2-fluorophenyl)-2-phenyldiazene
• Formula: C12 H9 F N2
• Calculated formula: C12 H9 F N2
• SMILES: c1c(/N=N\c2c(F)cccc2)cccc1
• Title of publication: Conformational Dynamics of o-Fluoro-Substituted Z-Azobenzene.
• Authors of publication: Rastogi, S. K.; Rogers, R. A.; Shi, J.; Gao, C.; Rinaldi, P. L.; Brittain, W. J.
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2015
• Journal volume: 80
• Journal issue: 22
• Pages of publication: 11485 - 11490
• a: 8.036 ± 0.002 Å
• b: 23.367 ± 0.006 Å
• c: 11.456 ± 0.003 Å
• α: 90°
• β: 104.521 ± 0.009°
• γ: 90°
• Cell volume: 2082.5 ± 0.9 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 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: 0.261
• Residual factor for significantly intense reflections: 0.1127
• Weighted residual factors for significantly intense reflections: 0.323
• Weighted residual factors for all reflections included in the refinement: 0.4278
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No