Information card for entry 7035062

Structure parameters

• Common name: GWr154
• Formula: C43 H48 F6 P4 Pt
• Calculated formula: C43 H48 F6 P4 Pt
• SMILES: [Pt]12([P](Cc3c4c2ccc2CCc(c42)cc3)(c2ccccc2)c2ccccc2)[P]2(c3c([P]41[C@H](C)CC[C@H]4C)cccc3)[C@H](C)CC[C@H]2C.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Synthesis of a phosphapyracene via metal-mediated cyclization: structural and reactivity effects of acenaphthene precursors.
• Authors of publication: Wang, Ge; Guino-O, Marites A; Glueck, David S.; Golen, James A.; Daley, Christopher J. A.; Rheingold, Arnold L.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 21
• Pages of publication: 9943 - 9954
• a: 11.698 ± 0.003 Å
• b: 17.675 ± 0.003 Å
• c: 19.808 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4095.5 ± 1.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0524
• Residual factor for significantly intense reflections: 0.0413
• Weighted residual factors for significantly intense reflections: 0.0803
• Weighted residual factors for all reflections included in the refinement: 0.0855
• Goodness-of-fit parameter for all reflections included in the refinement: 0.888
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No