Information card for entry 1543307

Structure parameters

• Formula: C9 H10 N2 O
• Calculated formula: C9 H10 N2 O
• SMILES: O=C(N1CCc2cccnc12)C
• Title of publication: Direct Catalytic Asymmetric Mannich-Type Reaction of Alkylamides.
• Authors of publication: Arteaga, Fernando Arteaga; Liu, Zijian; Brewitz, Lennart; Chen, Jianyang; Sun, Bo; Kumagai, Naoya; Shibasaki, Masakatsu
• Journal of publication: Organic letters
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 10
• Pages of publication: 2391 - 2394
• a: 7.0381 ± 0.0002 Å
• b: 13.3229 ± 0.0004 Å
• c: 8.7353 ± 0.0003 Å
• α: 90°
• β: 112.215 ± 0.008°
• γ: 90°
• Cell volume: 758.29 ± 0.06 ų
• Cell temperature: 93 K
• Ambient diffraction temperature: 93 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1039
• Residual factor for significantly intense reflections: 0.086
• Weighted residual factors for significantly intense reflections: 0.2235
• Weighted residual factors for all reflections included in the refinement: 0.231
• Goodness-of-fit parameter for all reflections included in the refinement: 1.242
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No