Information card for entry 7100922

Structure parameters

• Formula: C22 H18 N2 O
• Calculated formula: C22 H18 N2 O
• SMILES: O[C@H]1C(C2=C(CCc3c2cccc3)[C@H](C1)c1ccccc1)(C#N)C#N.O[C@@H]1C(C2=C(CCc3c2cccc3)[C@@H](C1)c1ccccc1)(C#N)C#N
• 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: 15.603 ± 0.004 Å
• b: 6.159 ± 0.001 Å
• c: 18.04 ± 0.004 Å
• α: 90°
• β: 97.72 ± 0.02°
• γ: 90°
• Cell volume: 1717.96 ± 0.73 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 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
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No