Information card for entry 7100920

Structure parameters

• Formula: C17 H16 N2 O
• Calculated formula: C17 H16 N2 O
• SMILES: O=CC[C@H]([C@H]1\C(=C(C#N)/C#N)c2c(cccc2)CC1)C
• Title of publication: Organocatalytic and Direct Asymmetric Vinylogous Michael Addition of α,α-Dicyanoolefins to α,β-Unsaturated Aldehydes
• Authors of publication: Xie, Jian-Wu; Yue, Lei; Xue, Dong; Ma, Xiao-Li; Chen, Ying-Chun; Wu, Yong; Zhu, Jin; Deng, Jin-Gen
• Journal of publication: Chemical Communications
• Year of publication: 2006
• Pages of publication: 1563 - 1565
• a: 6.076 ± 0.001 Å
• b: 13.777 ± 0.003 Å
• c: 17.439 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1459.74 ± 0.51 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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