Information card for entry 7234014

Structure parameters

• Chemical name: Diphenyl(3-(pyren-1-yl-)phenyl)phosphine oxide
• Formula: C34 H23 O P
• Calculated formula: C34 H23 O P
• SMILES: P(=O)(c1ccccc1)(c1ccccc1)c1cc(c2c3c4c(cc2)ccc2c4c(cc3)ccc2)ccc1
• Title of publication: Phosphine oxide functionalized pyrenes as efficient blue light emitting multifunctional materials for organic light emitting diodes
• Authors of publication: Godumala Mallesham; Chidirala Swetha; Surukonti Niveditha; Maneesha Esther Mohanty; Nanubolu Jagadeesh Babu; Arunandan Kumar; Kotamarthi Bhanuprakash; Vaidya Jayathirtha Rao
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2015
• Journal volume: 3
• Pages of publication: 1208 - 1224
• a: 9.0088 ± 0.0009 Å
• b: 9.6445 ± 0.0009 Å
• c: 14.0042 ± 0.0013 Å
• α: 96.309 ± 0.002°
• β: 98.175 ± 0.001°
• γ: 92.359 ± 0.002°
• Cell volume: 1195.1 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0376
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for significantly intense reflections: 0.1011
• Weighted residual factors for all reflections included in the refinement: 0.1043
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No