Information card for entry 2218039

Structure parameters

• Chemical name: 2,2'-(1,1'-Azinodiethylidyne)diphenol
• Formula: C16 H16 N2 O2
• Calculated formula: C16 H16 N2 O2
• SMILES: N(=C(C)\c1c(O)cccc1)/N=C(\C)c1c(O)cccc1
• Title of publication: 2,2'-(1,1'-Azinodiethylidyne)diphenol
• Authors of publication: Tai, Xi-Shi; Xu, Jun; Feng, Yi-Min; Liang, Zu-Pei
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 5
• Pages of publication: o905
• a: 6.3358 ± 0.0008 Å
• b: 13.5625 ± 0.001 Å
• c: 15.9956 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1374.5 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0922
• Residual factor for significantly intense reflections: 0.0424
• Weighted residual factors for significantly intense reflections: 0.0956
• Weighted residual factors for all reflections included in the refinement: 0.1278
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes