Information card for entry 4079508

Structure parameters

• Formula: C13 H13 O5 P W
• Calculated formula: C13 H13 O5 P W
• SMILES: [W](C#[O])(C#[O])(C#[O])(C#[O])(C#[O])[P]1(C)[C@H]2[C@@H]1[C@@H]1CC[C@H]2C1
• Title of publication: Role of Steric Strain in the Chemistry of Phosphiranes
• Authors of publication: Ho, Feny; Li, Yongxin; Mathey, François
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 23
• Pages of publication: 8456
• a: 6.5754 ± 0.0004 Å
• b: 8.8183 ± 0.0005 Å
• c: 13.3673 ± 0.0008 Å
• α: 72.254 ± 0.002°
• β: 85.602 ± 0.001°
• γ: 79.434 ± 0.002°
• Cell volume: 725.51 ± 0.07 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 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: 0.0284
• Residual factor for significantly intense reflections: 0.0261
• Weighted residual factors for significantly intense reflections: 0.0548
• Weighted residual factors for all reflections included in the refinement: 0.0555
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No