Information card for entry 4063421

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(c2ccccc2C=C1N(C(C)C)C(C)C)c1ccccc1
• Title of publication: Serendipitous Discovery of a Phosphirene‒Phosphindole Rearrangement
• Authors of publication: Panichakul, Duanghathai; Mathey, François
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 2
• Pages of publication: 348 - 351
• a: 16.1263 ± 0.0003 Å
• b: 9.4786 ± 0.0002 Å
• c: 20.0072 ± 0.0003 Å
• α: 90°
• β: 127.447 ± 0.001°
• γ: 90°
• Cell volume: 2427.95 ± 0.08 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 6
• 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: 0.044
• Residual factor for significantly intense reflections: 0.0252
• Weighted residual factors for significantly intense reflections: 0.0503
• Weighted residual factors for all reflections included in the refinement: 0.0556
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No