Information card for entry 1547792

Structure parameters

• Formula: C6 H16 N O4 Re
• Calculated formula: C6 H16 N O4 Re
• SMILES: [Re](=O)(=O)(=O)[O-].C(CCCCC)[NH3+]
• 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: 14.9581 ± 0.0004 Å
• b: 7.55701 ± 0.0002 Å
• c: 9.3623 ± 0.0003 Å
• α: 90°
• β: 107.339 ± 0.003°
• γ: 90°
• Cell volume: 1010.21 ± 0.05 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• 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: 0.0189
• Residual factor for significantly intense reflections: 0.0161
• Weighted residual factors for significantly intense reflections: 0.0367
• Weighted residual factors for all reflections included in the refinement: 0.0375
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No