Information card for entry 1555905

Structure parameters

• Formula: C23 H33 F6 N O4
• Calculated formula: C23 H33 F6 N O4
• SMILES: N1(C(CCCC1(C)C)(C)C)O[C@H](C)[C@H](OC(C(F)(F)F)C(F)(F)F)c1ccc(c(c1)OC)OC.N1(C(CCCC1(C)C)(C)C)O[C@@H](C)[C@@H](OC(C(F)(F)F)C(F)(F)F)c1ccc(c(c1)OC)OC
• Title of publication: Orthogonally Protected 1,2-Diols from Electron-Rich Alkenes Using Metal-Free Olefin syn-Dihydroxylation.
• Authors of publication: Colomer, Ignacio; Barcelos, Rosimeire Coura; Christensen, Kirsten E.; Donohoe, Timothy J.
• Journal of publication: Organic letters
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 22
• Pages of publication: 5880 - 5883
• a: 8.6692 ± 0.0003 Å
• b: 9.105 ± 0.0004 Å
• c: 15.8619 ± 0.0006 Å
• α: 93.843 ± 0.003°
• β: 91.883 ± 0.003°
• γ: 99.166 ± 0.003°
• Cell volume: 1232.06 ± 0.08 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0479
• Residual factor for significantly intense reflections: 0.0431
• Weighted residual factors for all reflections: 0.1141
• Weighted residual factors for significantly intense reflections: 0.1098
• Weighted residual factors for all reflections included in the refinement: 0.1141
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9853
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No