Information card for entry 7150161

Structure parameters

• Chemical name: N'-Cyclopent-2-enyl-N'-(2-oxo-oxazolidine-3-carbonyl)- hydrazinecarboxylic acid 2,2,2-tricloro-ethyl ester
• Formula: C12 H14 Cl3 N3 O5
• Calculated formula: C12 H14 Cl3 N3 O5
• Title of publication: Catalytic and enantioselective aza-ene and hetero-Diels-Alder reactions of alkenes and dienes with azodicarboxylates.
• Authors of publication: Aburel, Pompiliu S.; Zhuang, Wei; Hazell, Rita G.; Jørgensen, Karl Anker
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2005
• Journal volume: 3
• Journal issue: 12
• Pages of publication: 2344 - 2349
• a: 11.4775 ± 0.0005 Å
• b: 11.1987 ± 0.0005 Å
• c: 24.918 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3202.8 ± 0.2 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for all reflections included in the refinement: 0.054
• Goodness-of-fit parameter for all reflections included in the refinement: 1.54
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No