Information card for entry 7225343

Structure parameters

• Formula: C20 H17 O P
• Calculated formula: C20 H17 O P
• SMILES: P(c1ccc(C(=O)C)cc1)(c1ccccc1)c1ccccc1
• Title of publication: Enhanced room-temperature phosphorescence of triphenylphosphine derivatives without metal and heavy atoms in their crystal phase
• Authors of publication: Xue, Pengchong; Wang, Panpan; Chen, Peng; Ding, Jipeng; Lu, Ran
• Journal of publication: RSC Adv.
• Year of publication: 2016
• Journal volume: 6
• Journal issue: 57
• Pages of publication: 51683
• a: 8.5525 ± 0.0014 Å
• b: 10.3525 ± 0.0017 Å
• c: 10.5874 ± 0.0017 Å
• α: 114.517 ± 0.016°
• β: 99.585 ± 0.014°
• γ: 90.156 ± 0.013°
• Cell volume: 838.3 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 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: 0.072
• Residual factor for significantly intense reflections: 0.0516
• Weighted residual factors for significantly intense reflections: 0.1302
• Weighted residual factors for all reflections included in the refinement: 0.146
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No