Information card for entry 1553007

Structure parameters

• Formula: C17 H18 N2 O
• Calculated formula: C17 H18 N2 O
• SMILES: O=C(NN[C@@H](C)/C=C/c1ccccc1)c1ccccc1
• Title of publication: Catalytic stereospecific allylation of protected hydrazines with enantioenriched primary allylic amines
• Authors of publication: Wang, Yong; Xu, Jing-Kun; Gu, Yonghong; Tian, Shi-Kai
• Journal of publication: Organic Chemistry Frontiers
• Year of publication: 2014
• Journal volume: 1
• Journal issue: 7
• Pages of publication: 812
• a: 5.1955 ± 0.0001 Å
• b: 8.5856 ± 0.0001 Å
• c: 32.9171 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1468.32 ± 0.04 ų
• Cell temperature: 290 ± 2 K
• Ambient diffraction temperature: 290 ± 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
• Residual factor for all reflections: 0.0326
• Residual factor for significantly intense reflections: 0.0316
• Weighted residual factors for significantly intense reflections: 0.1036
• Weighted residual factors for all reflections included in the refinement: 0.1062
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No