Information card for entry 4108400

Structure parameters

• Formula: C24 H22 N2
• Calculated formula: C24 H22 N2
• SMILES: N1(c2c([C@]([C@H](c3ccccc3)C#N)(C1)C)cccc2)Cc1ccccc1.N1(c2c([C@@]([C@@H](c3ccccc3)C#N)(C1)C)cccc2)Cc1ccccc1
• Title of publication: Intramolecular Arylcyanation of Alkenes Catalyzed by Nickel/AlMe2Cl
• Authors of publication: Yoshiaki Nakao; Shiro Ebata; Akira Yada; Tamejiro Hiyama; Masashi Ikawa; Sensuke Ogoshi
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2008
• Journal volume: 130
• Pages of publication: 12874 - 12875
• a: 9.872 ± 0.002 Å
• b: 9.8736 ± 0.0019 Å
• c: 12.086 ± 0.002 Å
• α: 70.579 ± 0.003°
• β: 69.775 ± 0.003°
• γ: 60.317 ± 0.003°
• Cell volume: 941.4 ± 0.3 ų
• Cell temperature: 300 ± 2 K
• Ambient diffraction temperature: 300 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0521
• Residual factor for significantly intense reflections: 0.0463
• Weighted residual factors for significantly intense reflections: 0.1314
• Weighted residual factors for all reflections included in the refinement: 0.1366
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No