Information card for entry 1520395

Structure parameters

• Formula: C25 H45 B1.88 Br0.12 F3.52 O2 P
• Calculated formula: C25 H45 B1.88 Br0.12 F3.52 O2 P
• Title of publication: C25H45B1.88Br0.12F3.52O2P
• Authors of publication: Spencer, John; Callear, Samantha K.; Hursthouse, Michael B.
• Journal of publication: Crystal Structure Report Archive
• Year of publication: 2009
• Pages of publication: 661
• a: 12.248 ± 0.0003 Å
• b: 9.1264 ± 0.0003 Å
• c: 25.8185 ± 0.0007 Å
• α: 90°
• β: 96.561 ± 0.002°
• γ: 90°
• Cell volume: 2867.09 ± 0.14 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 7
• 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: 0.132
• Residual factor for significantly intense reflections: 0.0856
• Weighted residual factors for significantly intense reflections: 0.1405
• Weighted residual factors for all reflections included in the refinement: 0.1603
• Goodness-of-fit parameter for all reflections included in the refinement: 1.188
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No