Information card for entry 4028187

Structure parameters

• Formula: C16 H14 F6 O8
• Calculated formula: C16 H14 F6 O8
• SMILES: FC(F)(F)[C@@]12[C@]([C@@]3(O[C@@]1(OC)C=C3C(F)(F)F)C(=O)OC)(C(=O)OC)[C@@H]2C(=O)OC.FC(F)(F)C1=C[C@]2(O[C@]1(C(=O)OC)[C@]1([C@@]2([C@@H]1C(=O)OC)C(F)(F)F)C(=O)OC)OC
• Title of publication: Influence of an Internal Trifluoromethyl Group on the Rhodium(II)-Catalyzed Reactions of Vinyldiazocarbonyl Compounds
• Authors of publication: Valerij A. Nikolaev; Murat B. Supurgibekov; Huw M. L. Davies; Joachim Sieler; Valerija M. Zakharova
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2013
• Journal volume: 78
• Pages of publication: 4239 - 4244
• a: 14.4108 ± 0.0014 Å
• b: 30.084 ± 0.003 Å
• c: 8.6468 ± 0.0008 Å
• α: 90°
• β: 91.909 ± 0.005°
• γ: 90°
• Cell volume: 3746.6 ± 0.6 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0534
• Residual factor for significantly intense reflections: 0.0485
• Weighted residual factors for significantly intense reflections: 0.1272
• Weighted residual factors for all reflections included in the refinement: 0.1313
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No