Information card for entry 7161226

Structure parameters

• Common name: 1-naphthaldehyde cyanohydrin
• Chemical name: 2-Hydroxy-2-(naphthalen-1-yl)acetonitrile
• Formula: C12 H9 N O
• Calculated formula: C12 H9 N O
• Title of publication: Replication of chiral α-hydroxy acid via induction and amplification through an enantioenriched cyanohydrin conglomerate
• Authors of publication: Kawasaki, Tsuneomi; Takamatsu, Naoya; Aiba, Shohei; Kim, Yong Du; Niikura, Kohei; Okumura, So; Inoue, Takumi; Tsunomori, Yosuke; Tanaka, Yudai; Kato, Masaki; Nemoto, Kenji; Tokunaga, Yuji
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2026
• a: 24.58 ± 0.0013 Å
• b: 24.58 ± 0.0013 Å
• c: 4.0549 ± 0.00012 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 2121.65 ± 0.17 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 4
• Space group number: 146
• Hermann-Mauguin space group symbol: R 3 :H
• Hall space group symbol: R 3
• Residual factor for all reflections: 0.0273
• Residual factor for significantly intense reflections: 0.0267
• Weighted residual factors for significantly intense reflections: 0.0694
• Weighted residual factors for all reflections included in the refinement: 0.0697
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No