Information card for entry 1506145

Structure parameters

• Formula: C36 H26 O3 P2
• Calculated formula: C36 H26 O3 P2
• SMILES: P(=O)(c1ccccc1)(c1ccccc1)c1ccc2c(c3c(ccc(P(=O)(c4ccccc4)c4ccccc4)c3)o2)c1
• Title of publication: A dibenzofuran-based host material for blue electrophosphorescence.
• Authors of publication: Vecchi, Paul A.; Padmaperuma, Asanga B.; Qiao, Hong; Sapochak, Linda S.; Burrows, Paul E.
• Journal of publication: Organic letters
• Year of publication: 2006
• Journal volume: 8
• Journal issue: 19
• Pages of publication: 4211 - 4214
• a: 16.754 ± 0.003 Å
• b: 6.7136 ± 0.0014 Å
• c: 25.22 ± 0.005 Å
• α: 90°
• β: 96.207 ± 0.003°
• γ: 90°
• Cell volume: 2820.1 ± 1 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• 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: 0.0574
• Residual factor for significantly intense reflections: 0.0432
• Weighted residual factors for significantly intense reflections: 0.1145
• Weighted residual factors for all reflections included in the refinement: 0.1242
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No