Information card for entry 7245674

Structure parameters

• Formula: C34 H25 O P
• Calculated formula: C34 H25 O P
• SMILES: P1(=O)(C(=C(C(=C1c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1
• Title of publication: Yellow to blue switching of fluorescence by the tuning of the pentaphenylphosphole structure: phosphorus electronic state vs. ring conjugation
• Authors of publication: Shaydullin, Ruslan R.; Galushko, Alexey S.; Pentsak, Evgeniy O.; Korshunov, Vladislav M.; Taydakov, Ilya V.; Gordeev, Evgeniy G.; Minyaev, Mikhail E.; Nasyrova, Darina I.; Ananikov, Valentine P.
• Journal of publication: Physical Chemistry Chemical Physics
• Year of publication: 2022
• a: 16.0559 ± 0.0006 Å
• b: 6.2918 ± 0.0002 Å
• c: 24.2227 ± 0.001 Å
• α: 90°
• β: 92.717 ± 0.001°
• γ: 90°
• Cell volume: 2444.24 ± 0.16 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0753
• Residual factor for significantly intense reflections: 0.0543
• Weighted residual factors for significantly intense reflections: 0.123
• Weighted residual factors for all reflections included in the refinement: 0.1378
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No