Information card for entry 1506759

Structure parameters

• Formula: C19 H19 N O2
• Calculated formula: C19 H19 N O2
• SMILES: O=N1=C2[C@H](CCc3ccccc23)[C@H](C1)c1ccc(OC)cc1.O=N1=C2[C@@H](CCc3ccccc23)[C@@H](C1)c1ccc(OC)cc1
• Title of publication: Asymmetric direct vinylogous Michael reaction of activated alkenes to nitroolefins catalyzed by modified cinchona alkaloids.
• Authors of publication: Xue, Dong; Chen, Ying-Chun; Wang, Qi-Wei; Cun, Ling-Feng; Zhu, Jin; Deng, Jin-Gen
• Journal of publication: Organic letters
• Year of publication: 2005
• Journal volume: 7
• Journal issue: 23
• Pages of publication: 5293 - 5296
• a: 10.162 ± 0.002 Å
• b: 11.205 ± 0.002 Å
• c: 27.271 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3105.2 ± 1 ų
• Cell temperature: 300 ± 2 K
• Ambient diffraction temperature: 300 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1027
• Residual factor for significantly intense reflections: 0.0412
• Weighted residual factors for significantly intense reflections: 0.0766
• Weighted residual factors for all reflections included in the refinement: 0.0896
• Goodness-of-fit parameter for all reflections included in the refinement: 0.847
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No