Information card for entry 1547797

Structure parameters

• Formula: C14 H24 N O4 Re
• Calculated formula: C14 H24 N O4 Re
• Title of publication: Deoxydehydration of vicinal diols and polyols catalyzed by pyridinium perrhenate salts
• Authors of publication: Morris, Danny S.; van Rees, Karlotta; Curcio, Massimiliano; Cokoja, Mirza; Kühn, Fritz E.; Duarte, Fernanda; Love, Jason B.
• Journal of publication: Catal. Sci. Technol.
• Year of publication: 2017
• a: 8.9052 ± 0.0002 Å
• b: 8.4384 ± 0.0001 Å
• c: 10.9159 ± 0.0002 Å
• α: 90°
• β: 90.016 ± 0.002°
• γ: 90°
• Cell volume: 820.28 ± 0.03 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 2 K
• Number of distinct elements: 5
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.0214
• Residual factor for significantly intense reflections: 0.0203
• Weighted residual factors for significantly intense reflections: 0.0442
• Weighted residual factors for all reflections included in the refinement: 0.0445
• Goodness-of-fit parameter for all reflections included in the refinement: 1.308
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No