Information card for entry 1517745

Structure parameters

• Formula: C24 H21 P
• Calculated formula: C24 H21 P
• SMILES: C1(c2ccccc2C=Cc2ccccc12)=Pc1c(C)cc(C)cc1C
• Title of publication: Anionic polymerisation of phosphaalkenes bearing polyaromatic chromophores: phosphine polymers showing “turn-on” emission selectively with peroxide
• Authors of publication: Rawe, Benjamin W.; Chun, Cindy P.; Gates, Derek P.
• Journal of publication: Chem. Sci.
• Year of publication: 2014
• Journal volume: 5
• Journal issue: 12
• Pages of publication: 4928
• a: 7.6281 ± 0.0005 Å
• b: 29.8493 ± 0.0019 Å
• c: 8.037 ± 0.0005 Å
• α: 90°
• β: 95.421 ± 0.004°
• γ: 90°
• Cell volume: 1821.8 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• 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: 0.0622
• Residual factor for significantly intense reflections: 0.0557
• Weighted residual factors for significantly intense reflections: 0.1347
• Weighted residual factors for all reflections included in the refinement: 0.1373
• Goodness-of-fit parameter for all reflections included in the refinement: 1.198
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No