Information card for entry 7215444

Structure parameters

• Formula: C18 H13 P Se
• Calculated formula: C18 H13 P Se
• SMILES: [Se]=P1(c2ccccc2c2ccccc12)c1ccccc1
• Title of publication: Enhanced phosphorescence in dibenzophosphole chalcogenide mixed crystal
• Authors of publication: Kabe, Ryota; Lynch, Vincent M.; Anzenbacher Jr., Pavel
• Journal of publication: CrystEngComm
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 17
• Pages of publication: 5423
• a: 10.377 ± 0.002 Å
• b: 9.509 ± 0.002 Å
• c: 15.331 ± 0.003 Å
• α: 90°
• β: 92.624 ± 0.005°
• γ: 90°
• Cell volume: 1511.2 ± 0.5 ų
• Cell temperature: 233 ± 2 K
• Ambient diffraction temperature: 233 ± 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: 0.0321
• Residual factor for significantly intense reflections: 0.0277
• Weighted residual factors for significantly intense reflections: 0.0658
• Weighted residual factors for all reflections included in the refinement: 0.0679
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No