Information card for entry 4063420

Structure parameters

• Formula: C37.5 H20.5 B Cl1.5 F15 N O6 P W
• Calculated formula: C37.5 H20.5 B Cl1.5 F15 N O6 P W
• 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: 11.2518 ± 0.0005 Å
• b: 11.4277 ± 0.0005 Å
• c: 16.4537 ± 0.0008 Å
• α: 77.6 ± 0.002°
• β: 78.274 ± 0.002°
• γ: 72.811 ± 0.002°
• Cell volume: 1951.73 ± 0.16 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0488
• Residual factor for significantly intense reflections: 0.0357
• Weighted residual factors for significantly intense reflections: 0.0799
• Weighted residual factors for all reflections included in the refinement: 0.0935
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No