Information card for entry 4023536

Structure parameters

• Common name: (iPr2P)2(C14H8)
• Chemical name: 9,10-Bis(diisopropylphosphanyl)anthracene
• Formula: C26 H36 P2
• Calculated formula: C26 H36 P2
• SMILES: c1(P(C(C)C)C(C)C)c2ccccc2c(c2ccccc12)P(C(C)C)C(C)C
• 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: 11.5637 ± 0.0017 Å
• b: 8.2911 ± 0.0012 Å
• c: 11.9497 ± 0.0018 Å
• α: 90°
• β: 94.953 ± 0.002°
• γ: 90°
• Cell volume: 1141.4 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• 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: 0.0432
• Residual factor for significantly intense reflections: 0.0352
• Weighted residual factors for significantly intense reflections: 0.0873
• Weighted residual factors for all reflections included in the refinement: 0.0906
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No