Information card for entry 4070278

Structure parameters

• Formula: C25 H24 N O5 P W
• Calculated formula: C25 H24 N O5 P W
• SMILES: [W](C#[O])(C#[O])(C#[O])(C#[O])(C#[O])[P]1(C(=C1c1ccccc1)N(C(C)C)C(C)C)[c]1ccccc1
• Title of publication: Synthesis, Structure, and Chemistry of 2-Amino-Substituted Phosphirenes
• Authors of publication: Panichakul, Duanghathai; Mathey, François
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 19
• Pages of publication: 5705
• a: 16.2834 ± 0.0003 Å
• b: 9.3069 ± 0.0002 Å
• c: 17.4048 ± 0.0003 Å
• α: 90°
• β: 110.188 ± 0.001°
• γ: 90°
• Cell volume: 2475.62 ± 0.08 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0581
• Residual factor for significantly intense reflections: 0.0323
• Weighted residual factors for significantly intense reflections: 0.0712
• Weighted residual factors for all reflections included in the refinement: 0.0916
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No