Information card for entry 4001534

Structure parameters

• Formula: C39 H32 O2 P2
• Calculated formula: C39 H32 O2 P2
• SMILES: P(=O)(c1ccccc1)(c1ccccc1)c1cc2C(C)(C)c3cc(P(=O)(c4ccccc4)c4ccccc4)ccc3c2cc1
• Title of publication: New Charge Transporting Host Material for Short Wavelength Organic Electrophosphorescence: 2,7-Bis(diphenylphosphine oxide)-9,9-dimethylfluorene
• Authors of publication: Padmaperuma, Asanga B.; Sapochak, Linda S.; Burrows, Paul E.
• Journal of publication: Chemistry of Materials
• Year of publication: 2006
• Journal volume: 18
• Journal issue: 9
• Pages of publication: 2389
• a: 11.2 ± 0.003 Å
• b: 11.38 ± 0.003 Å
• c: 14.449 ± 0.004 Å
• α: 80.357 ± 0.005°
• β: 82.319 ± 0.004°
• γ: 61.405 ± 0.004°
• Cell volume: 1591.1 ± 0.7 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0586
• Residual factor for significantly intense reflections: 0.0425
• Weighted residual factors for significantly intense reflections: 0.1105
• Weighted residual factors for all reflections included in the refinement: 0.1222
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No