Information card for entry 1517746

Structure parameters

• Formula: C26 H23 P
• Calculated formula: C26 H23 P
• SMILES: c1(c(C)cc(C)cc1C)P=C(c1ccccc1)c1cccc2ccccc12
• 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: 12.054 ± 0.005 Å
• b: 9.298 ± 0.005 Å
• c: 18.724 ± 0.005 Å
• α: 90 ± 0.005°
• β: 99.348 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 2070.7 ± 1.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0587
• Residual factor for significantly intense reflections: 0.0412
• Weighted residual factors for significantly intense reflections: 0.0952
• Weighted residual factors for all reflections included in the refinement: 0.1043
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No