Information card for entry 7107689

Structure parameters

• Formula: C18 H19 Br N O5
• Calculated formula: C18 H19 Br N O5
• Title of publication: Chiral guanidine-catalyzed asymmetric direct vinylogous Michael reaction of a,B-unsaturated Y-butyrolactams with alkylidene malonates
• Authors of publication: Yang Yang; Shunxi Dong; Xiaohua Liu; Lili Lin; Xiaoming Feng
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 5040
• a: 8.352 ± 0.0005 Å
• b: 12.0788 ± 0.001 Å
• c: 21.7041 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2189.6 ± 0.3 ų
• Cell temperature: 135.05 ± 0.1 K
• Ambient diffraction temperature: 135.05 ± 0.1 K
• Number of distinct elements: 5
• 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: 0.134
• Residual factor for significantly intense reflections: 0.0958
• Weighted residual factors for significantly intense reflections: 0.2459
• Weighted residual factors for all reflections included in the refinement: 0.281
• Goodness-of-fit parameter for all reflections included in the refinement: 0.992
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No