Information card for entry 4030460

Structure parameters

• Formula: C18 H24 F2 N2 O5
• Calculated formula: C18 H24 F2 N2 O5
• SMILES: c1(ccccc1)C(=O)C(N(C(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)(F)F
• Title of publication: Electrophilic amination of fluoroalkyl groups on azodicarboxylate derivatives.
• Authors of publication: Mamone, Marius; Morvan, Estelle; Milcent, Thierry; Ongeri, Sandrine; Crousse, Benoit
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2015
• Journal volume: 80
• Journal issue: 3
• Pages of publication: 1964 - 1971
• a: 11.9085 ± 0.0003 Å
• b: 17.1795 ± 0.0004 Å
• c: 10.1524 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2077 ± 0.08 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0326
• Residual factor for significantly intense reflections: 0.0298
• Weighted residual factors for all reflections: 0.0723
• Weighted residual factors for significantly intense reflections: 0.0713
• Weighted residual factors for all reflections included in the refinement: 0.0723
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No