Information card for entry 2205314

Structure parameters

• Chemical name: Di-tert-butylphosphine oxide
• Formula: C8 H19 O P
• Calculated formula: C8 H19 O P
• SMILES: C(P(=O)C(C)(C)C)(C)(C)C
• Title of publication: Di-<i>tert</i>-butylphosphine oxide
• Authors of publication: Dornhaus, Franz; Lerner, Hans-Wolfram; Bolte, Michael
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 3
• Pages of publication: o657 - o658
• a: 10.4244 ± 0.001 Å
• b: 15.9819 ± 0.0016 Å
• c: 6.0919 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1014.92 ± 0.18 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0429
• Residual factor for significantly intense reflections: 0.0386
• Weighted residual factors for significantly intense reflections: 0.1102
• Weighted residual factors for all reflections included in the refinement: 0.114
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes