Information card for entry 1546596

Structure parameters

• Formula: C32 H25 P
• Calculated formula: C32 H25 P
• SMILES: P(/c1c(cc(cc1C)C)C)=C(\c1ccccc1)c1ccc2ccc3cccc4ccc1c2c34
• Title of publication: A C-Pyrenyl Poly(methylenephosphine): Oxidation “Turns On” Blue Photoluminescence in Solution and the Solid State
• Authors of publication: Rawe, Benjamin W.; Brown, Christopher M.; MacKinnon, Marc R.; Patrick, Brian O.; Bodwell, Graham J.; Gates, Derek P.
• Journal of publication: Organometallics
• Year of publication: 2017
• Journal volume: 36
• Journal issue: 14
• Pages of publication: 2520
• a: 8.516 ± 0.0004 Å
• b: 11.6325 ± 0.0005 Å
• c: 12.4299 ± 0.0005 Å
• α: 86.573 ± 0.002°
• β: 72.136 ± 0.002°
• γ: 83.904 ± 0.002°
• Cell volume: 1164.86 ± 0.09 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0711
• Residual factor for significantly intense reflections: 0.0499
• Weighted residual factors for significantly intense reflections: 0.1189
• Weighted residual factors for all reflections included in the refinement: 0.1269
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No