Information card for entry 1568896

Structure parameters

• Common name: Fur-aminonitrile
• Formula: C18.9 H15.9 N2 O
• Calculated formula: C18.898 H15.898 N2 O
• Title of publication: Chirally and chemically reversible Strecker reaction
• Authors of publication: Machida, Yutaro; Tanaka, Yudai; Masuda, Yuya; Kimura, Aya; Kawasaki, Tsuneomi
• Journal of publication: Chemical Science
• Year of publication: 2023
• Journal volume: 14
• Journal issue: 17
• Pages of publication: 4480 - 4484
• a: 6.9356 ± 0.0002 Å
• b: 8.626 ± 0.0003 Å
• c: 25.4183 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1520.69 ± 0.08 ų
• Cell temperature: 123.15 K
• Ambient diffraction temperature: 123.15 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 all reflections: 0.04
• Residual factor for significantly intense reflections: 0.0387
• Weighted residual factors for significantly intense reflections: 0.0965
• Weighted residual factors for all reflections included in the refinement: 0.0974
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No