Information card for entry 7103073

Structure parameters

• Common name: (0.0)(3,3')-Azobenzenophane
• Chemical name: [0.0](3,3')-Azobenzenophane
• Formula: C24 H16 N4
• Calculated formula: C24 H16 N4
• SMILES: c12cccc(c1)c1cccc(c1)N=Nc1cccc(c1)c1cc(ccc1)N=N2
• Title of publication: Unconventional thermodynamically stable cis isomer and trans to cis thermal isomerization in reversibly photoresponsive [0.0](3,3')-azobenzenophane.
• Authors of publication: Norikane, Yasuo; Katoh, Ryuzi; Tamaoki, Nobuyuki
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2008
• Journal issue: 16
• Pages of publication: 1898 - 1900
• a: 10.128 ± 0.003 Å
• b: 16.935 ± 0.005 Å
• c: 10.677 ± 0.003 Å
• α: 90°
• β: 94.323 ± 0.007°
• γ: 90°
• Cell volume: 1826.1 ± 1 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1739
• Residual factor for significantly intense reflections: 0.0701
• Weighted residual factors for significantly intense reflections: 0.1827
• Weighted residual factors for all reflections included in the refinement: 0.2401
• Goodness-of-fit parameter for all reflections included in the refinement: 0.661
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No