Information card for entry 2233618

Structure parameters

• Chemical name: Diethyl 2,6-dihydroxy-4-(3-nitrophenyl)- 2,6-bis(trifluoromethyl)piperidine-3,5-dicarboxylate
• Formula: C19 H20 F6 N2 O8
• Calculated formula: C19 H20 F6 N2 O8
• Title of publication: Diethyl 2,6-dihydroxy-4-(3-nitrophenyl)-2,6-bis(trifluoromethyl)piperidine-3,5-dicarboxylate
• Authors of publication: Fun, Hoong-Kun; Arshad, Suhana; Reddy, B. Palakshi; Vijayakumar, V.; Sarveswari, S.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 2
• Pages of publication: o400 - o401
• a: 17.7353 ± 0.0016 Å
• b: 15.2025 ± 0.0014 Å
• c: 17.3003 ± 0.0016 Å
• α: 90°
• β: 91.049 ± 0.002°
• γ: 90°
• Cell volume: 4663.7 ± 0.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0804
• Residual factor for significantly intense reflections: 0.0443
• Weighted residual factors for significantly intense reflections: 0.1064
• Weighted residual factors for all reflections included in the refinement: 0.1247
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes