Information card for entry 4110888

Structure parameters

• Formula: C23 H26 B F3 O5 Pt
• Calculated formula: C23 H26 B F3 O5 Pt
• SMILES: [Pt]1234([O]([C@@H]5[C@H]1[C@@H]1C[C@H]5c5c1c(ccc5OC(=O)C)OC(=O)C)B(F)(F)F)[CH]1=[CH]4CC[CH]2=[CH]3CC1.[Pt]1234([O]([C@H]5[C@@H]1[C@H]1C[C@@H]5c5c1c(ccc5OC(=O)C)OC(=O)C)B(F)(F)F)[CH]1=[CH]4CC[CH]2=[CH]3CC1
• Title of publication: Reversible Alkene Extrusion from Platinaoxetanes
• Authors of publication: Endre Szuromi; Jianguo Wu; Paul R. Sharp
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2006
• Journal volume: 128
• Pages of publication: 12088 - 12089
• a: 9.3406 ± 0.0006 Å
• b: 11.7311 ± 0.0007 Å
• c: 12.2403 ± 0.0008 Å
• α: 107.703 ± 0.001°
• β: 108.925 ± 0.001°
• γ: 103.746 ± 0.001°
• Cell volume: 1121.37 ± 0.12 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0479
• Residual factor for significantly intense reflections: 0.0403
• Weighted residual factors for significantly intense reflections: 0.0963
• Weighted residual factors for all reflections included in the refinement: 0.1008
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No