Information card for entry 8000089

Structure parameters

• Formula: C18 H10 F2 N2
• Calculated formula: C18 H10 F2 N2
• Title of publication: Crystal Structure of Light-induced Colored Species from Photochromic Dimer of 1,4-Bis(imidazolyl)tetrafluorobenzene
• Authors of publication: Kikuchi, Azusa; Abe, Jiro
• Journal of publication: Chemistry Letters
• Year of publication: 2005
• Journal volume: 34
• Journal issue: 11
• Pages of publication: 1552
• a: 4.9759 ± 0.0009 Å
• b: 17.655 ± 0.003 Å
• c: 15.299 ± 0.003 Å
• α: 90°
• β: 97.809 ± 0.009°
• γ: 90°
• Cell volume: 1331.5 ± 0.4 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• 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: 0.1342
• Residual factor for significantly intense reflections: 0.0939
• Weighted residual factors for significantly intense reflections: 0.2366
• Weighted residual factors for all reflections included in the refinement: 0.2653
• Goodness-of-fit parameter for all reflections included in the refinement: 0.975
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No