Information card for entry 4123357

Structure parameters

• Formula: C30 H30 Br N O10
• Calculated formula: C30.93 H32.48 Br N O10.25
• Title of publication: Organocatalytic enamine-activation of cyclopropanes for highly stereoselective formation of cyclobutanes.
• Authors of publication: Halskov, Kim Søholm; Kniep, Florian; Lauridsen, Vibeke Henriette; Iversen, Eva Høgh; Donslund, Bjarke Skyum; Jørgensen, Karl Anker
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2015
• Journal volume: 137
• Journal issue: 4
• Pages of publication: 1685 - 1691
• a: 14.737 ± 0.0016 Å
• b: 27.527 ± 0.003 Å
• c: 15.2903 ± 0.0017 Å
• α: 90°
• β: 95.821 ± 0.004°
• γ: 90°
• Cell volume: 6170.8 ± 1.2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0862
• Residual factor for significantly intense reflections: 0.0629
• Weighted residual factors for significantly intense reflections: 0.1664
• Weighted residual factors for all reflections included in the refinement: 0.187
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.56086 Å
• Diffraction radiation type: AgKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No