Information card for entry 2009537

Structure parameters

• Formula: C16 H12 N2
• Calculated formula: C16 H12 N2
• SMILES: N#C[C@H]([C@H](c1ccccc1)C#N)c1ccccc1.N#C[C@@H]([C@@H](c1ccccc1)C#N)c1ccccc1
• Title of publication: <i>meso</i>- and (±)-1,2-dicyano-1,2-diphenylethane
• Authors of publication: Koh, L.L.; Yan,Xu; Sim, K.Y.; Liang, E.; Huang, H.H.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1994
• Journal volume: 50
• Journal issue: 3
• Pages of publication: 438 - 442
• a: 17.702 ± 0.006 Å
• b: 5.72 ± 0.002 Å
• c: 12.725 ± 0.004 Å
• α: 90°
• β: 104.58 ± 0.03°
• γ: 90°
• Cell volume: 1247 ± 0.7 ų
• Cell temperature: 298 K
• Number of distinct elements: 3
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for significantly intense reflections: 0.031
• Weighted residual factors for significantly intense reflections: 0.048
• Goodness-of-fit parameter for significantly intense reflections: 1.55
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No