Information card for entry 4023533

Structure parameters

• Common name: Br(C14H8)PiPr2
• Chemical name: 9-Bromo-10-diisopropylphosphanylanthracene
• Formula: C20 H22 Br P
• Calculated formula: C20 H22 Br P
• Title of publication: Structural and Variable-Temperature NMR Studies of 9-Diisopropylphosphanylanthracenes and 9,10-Bis(diisopropylphosphanyl)anthracenes and Their Oxidation Products
• Authors of publication: Gerald Schwab; Daniel Stern; Dietmar Stalke
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2008
• Journal volume: 73
• Pages of publication: 5242 - 5247
• a: 8.3327 ± 0.0007 Å
• b: 15.557 ± 0.0013 Å
• c: 27.197 ± 0.002 Å
• α: 90°
• β: 93.059 ± 0.002°
• γ: 90°
• Cell volume: 3520.6 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• 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: 0.0512
• Residual factor for significantly intense reflections: 0.0373
• Weighted residual factors for significantly intense reflections: 0.0918
• Weighted residual factors for all reflections included in the refinement: 0.0961
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No