Information card for entry 4116876

Structure parameters

• Formula: C18 H25 Cl Hg O5
• Calculated formula: C18 H25 Cl Hg O5
• SMILES: [Hg](Cl)[C@H]1C(=O)[C@@]2(OCCC2)[C@]2(OCCC2)[C@@]2(OCCC2)[C@]21OCCC2.[Hg](Cl)[C@@H]1C(=O)[C@]2(OCCC2)[C@@]2(OCCC2)[C@]2(OCCC2)[C@@]21OCCC2
• Title of publication: Intramolecular Oxymercuration of Stereoisomeric Cyclohexyl-Belted Poly(spirotetrahydrofuranyl) Platforms
• Authors of publication: Leo A. Paquette; David G. Bolin; Marshall Stepanian; Bruce M. Branan; Uppuluri V. Mallavadhani; Jinsung Tae; Shawn W. E. Eisenberg; Robin D. Rogers
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 1998
• Journal volume: 120
• Pages of publication: 11603 - 11615
• a: 11.893 ± 0.003 Å
• b: 8.88 ± 0.002 Å
• c: 17.627 ± 0.005 Å
• α: 90°
• β: 96.127 ± 0.004°
• γ: 90°
• Cell volume: 1851 ± 0.8 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 5
• 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: 0.0324
• Residual factor for significantly intense reflections: 0.0291
• Weighted residual factors for all reflections: 0.0844
• Weighted residual factors for significantly intense reflections: 0.0754
• Goodness-of-fit parameter for all reflections: 1.056
• Goodness-of-fit parameter for significantly intense reflections: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No