Information card for entry 1504715

Structure parameters

• Formula: C22 H30 N4
• Calculated formula: C22 H30 N4
• SMILES: N#CC(C(/C=C/C(C(/C=C/C(C(C#N)C#N)(C)C)(C)C)(C)C)(C)C)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: 6.305 ± 0.003 Å
• b: 26.491 ± 0.018 Å
• c: 6.608 ± 0.004 Å
• α: 90°
• β: 99.89 ± 0.03°
• γ: 90°
• Cell volume: 1087.3 ± 1.1 ų
• Cell temperature: 296.1 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.0902
• Weighted residual factors for all reflections included in the refinement: 0.1138
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No