Information card for entry 2202862

Structure parameters

• Chemical name: 2-Phenylbenzenepentanenitrile
• Formula: C17 H17 N
• Calculated formula: C17 H17 N
• SMILES: C(CCCc1ccccc1)(C#N)c1ccccc1
• Title of publication: 2,5-Diphenylpentanenitrile
• Authors of publication: Li, Jie; Li, Chun-Bao; Shao, Qi-Yun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 11
• Pages of publication: o1668 - o1669
• a: 8.356 ± 0.003 Å
• b: 17.406 ± 0.005 Å
• c: 19.052 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2771 ± 1.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0982
• Residual factor for significantly intense reflections: 0.0555
• Weighted residual factors for all reflections included in the refinement: 0.1426
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes