Information card for entry 4118245

Structure parameters

• Formula: C12 H22 N O2 P
• Calculated formula: C12 H22 N O2 P
• SMILES: C1(=CN2C=C(C(C)(C)C)O[PH2]2O1)C(C)(C)C
• Title of publication: Main Group Redox Catalysis: Reversible PIII/PV Redox Cycling at a Phosphorus Platform
• Authors of publication: Nicole L. Dunn; Minji Ha; Alexander T. Radosevich
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2012
• Journal volume: 134
• Pages of publication: 11330 - 11333
• a: 11.5987 ± 0.0018 Å
• b: 10.7814 ± 0.0016 Å
• c: 23.414 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2927.9 ± 0.8 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0742
• Residual factor for significantly intense reflections: 0.0588
• Weighted residual factors for significantly intense reflections: 0.1305
• Weighted residual factors for all reflections included in the refinement: 0.1382
• Goodness-of-fit parameter for all reflections included in the refinement: 1.118
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No