Information card for entry 7150564

Structure parameters

• Formula: C26 H24 N2 O2
• Calculated formula: C26 H24 N2 O2
• SMILES: O=C(OC)[C@H]1N([C@@H](C#N)CC1)C(c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Direct electrochemical α-cyanation of N-protected cyclic amines
• Authors of publication: Libendi, Samuel Shikuku; Demizu, Yosuke; Onomura, Osamu
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2009
• Journal volume: 7
• Journal issue: 2
• Pages of publication: 351 - 356
• a: 9.0438 ± 0.0004 Å
• b: 14.174 ± 0.0007 Å
• c: 19.0124 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2437.1 ± 0.2 ų
• Cell temperature: 296.1 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for significantly intense reflections: 0.0731
• Weighted residual factors for all reflections included in the refinement: 0.1818
• Goodness-of-fit parameter for all reflections included in the refinement: 0.975
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No