Information card for entry 1504714

Structure parameters

• Formula: C17 H14 N2
• Calculated formula: C17 H14 N2
• SMILES: N#CC(CC(c1ccccc1)c1ccccc1)C#N
• Title of publication: Photochemical monoalkylation of propanedinitrile by electron-rich alkenes.
• Authors of publication: Ohashi, Maki; Nakatani, Keisuke; Maeda, Hajime; Mizuno, Kazuhiko
• Journal of publication: Organic letters
• Year of publication: 2008
• Journal volume: 10
• Journal issue: 13
• Pages of publication: 2741 - 2743
• a: 6.883 ± 0.0008 Å
• b: 23.231 ± 0.003 Å
• c: 9.5793 ± 0.0013 Å
• α: 90°
• β: 112.639 ± 0.003°
• γ: 90°
• Cell volume: 1413.7 ± 0.3 ų
• Cell temperature: 296.1 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.0672
• Weighted residual factors for all reflections included in the refinement: 0.0857
• Goodness-of-fit parameter for all reflections included in the refinement: 1.18
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No