Information card for entry 4135027

Structure parameters

• Formula: C43 H32 O2 P2
• Calculated formula: C43 H32 O2 P2
• SMILES: P(=O)(c1ccccc1)(c1ccccc1)C#Cc1cc2c(cc1)c1c(C2(C)C)cc(C#CP(=O)(c2ccccc2)c2ccccc2)cc1
• Title of publication: A Smart Phosphine-Diyne Polymer Displays "Turn-on" Emission with a High Selectivity for Gold(I/III) Ions.
• Authors of publication: Mackenzie, Harvey K.; Rawe, Benjamin W.; Samedov, Kerim; Walsgrove, Henry T. G.; Uva, Azalea; Han, Zeyu; Gates, Derek P.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2020
• a: 8.3642 ± 0.0004 Å
• b: 22.4504 ± 0.001 Å
• c: 17.932 ± 0.0008 Å
• α: 90°
• β: 95.468 ± 0.001°
• γ: 90°
• Cell volume: 3351.9 ± 0.3 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273.15 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: 0.0821
• Residual factor for significantly intense reflections: 0.0567
• Weighted residual factors for significantly intense reflections: 0.1397
• Weighted residual factors for all reflections included in the refinement: 0.1504
• Goodness-of-fit parameter for all reflections included in the refinement: 1.119
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No