Information card for entry 4115160

Structure parameters

• Chemical name: N-(3-fluorophtaloyl)-cis-1-aminocyclohexane-4-carboxylate tert-butyl perester
• Formula: C19 H22 F N O5
• Calculated formula: C19 H22 F N O5
• Title of publication: Insights into the Free-Energy Dependence of Intramolecular Dissociative Electron Transfers
• Authors of publication: Sabrina Antonello; Marco Crisma; Fernando Formaggio; Alessandro Moretto; Ferdinando Taddei; Claudio Toniolo; Flavio Maran
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2002
• Journal volume: 124
• Pages of publication: 11503 - 11513
• a: 14.256 ± 0.003 Å
• b: 11.009 ± 0.003 Å
• c: 24.814 ± 0.005 Å
• α: 90°
• β: 106.28 ± 0.04°
• γ: 90°
• Cell volume: 3738.3 ± 1.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.0697
• Residual factor for significantly intense reflections: 0.0649
• Weighted residual factors for significantly intense reflections: 0.1834
• Weighted residual factors for all reflections included in the refinement: 0.1877
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No