Information card for entry 4020707

Structure parameters

• Formula: C15 H20 N2 O2
• Calculated formula: C15 H20 N2 O2
• SMILES: N([C@@](C#N)([C@@H]1OC(OC1)(C)C)C)Cc1ccccc1
• Title of publication: Highly Diastereoselective Cyanation of Methyl Ketimines Obtained from (R)-Glyceraldehyde
• Authors of publication: Ramón Badorrey; Carlos Cativiela; María D. Díaz-de-Villegas; Roberto Díez; Fabrizio Galbiati; José A. Gálvez
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2005
• Journal volume: 70
• Pages of publication: 10102 - 10105
• a: 6.855 ± 0.001 Å
• b: 10.497 ± 0.001 Å
• c: 20.241 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1456.5 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No