Information card for entry 1506055

Structure parameters

• Formula: C48 H50 O P2 Pt
• Calculated formula: C48 H50 O P2 Pt
• SMILES: c1(ccccc1)[P](c1ccccc1)(c1ccccc1)[Pt]1(C2C[C@@]3(C)[C@@](C)(C2)CC1(C3)OCC)[P](c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Evidence for the formation of the (Ph3P)2Pt complex of 3,7-dimethyltricyclo[3.3.0.03,7]oct-1(5)-ene, the most highly pyramidalized alkene in a homologous series. Isolation and X-ray structure of the product of the ethanol addition to the complex.
• Authors of publication: Theophanous, Fanitsa A.; Tasiopoulos, Anastasios J.; Nicolaides, Athanassios; Zhou, Xin; Johnson, William T. G.; Borden, Weston Thatcher
• Journal of publication: Organic letters
• Year of publication: 2006
• Journal volume: 8
• Journal issue: 14
• Pages of publication: 3001 - 3004
• a: 18.5273 ± 0.0007 Å
• b: 10.3442 ± 0.0005 Å
• c: 21.1903 ± 0.001 Å
• α: 90°
• β: 105.931 ± 0.004°
• γ: 90°
• Cell volume: 3905.1 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0275
• Residual factor for significantly intense reflections: 0.0194
• Weighted residual factors for significantly intense reflections: 0.0438
• Weighted residual factors for all reflections included in the refinement: 0.0449
• Goodness-of-fit parameter for all reflections included in the refinement: 0.989
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No