Information card for entry 4021917

Structure parameters

• Common name: 9-Acetyl-Triamantan
• Formula: C20 H26 O
• Calculated formula: C20 H26 O
• SMILES: O=C(C12C[C@@H]3[C@@H]4C5([C@@H]6[C@@H](C3CC3[C@H]4CC(C[C@H]63)C5)C1)C2)C
• Title of publication: Functionalized Nanodiamonds: Triamantane and [121]Tetramantane
• Authors of publication: Peter R. Schreiner; Natalie A. Fokina; Boryslav A. Tkachenko; Heike Hausmann; Michael Serafin; Jeremy E. P. Dahl; Shenggao Liu; Robert M. K. Carlson; Andrey A. Fokin
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2006
• Journal volume: 71
• Pages of publication: 6709 - 6720
• a: 6.5969 ± 0.0008 Å
• b: 9.805 ± 0.0012 Å
• c: 11.5438 ± 0.0015 Å
• α: 87.85 ± 0.015°
• β: 83.935 ± 0.015°
• γ: 88.231 ± 0.015°
• Cell volume: 741.71 ± 0.16 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0686
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.1119
• Weighted residual factors for all reflections included in the refinement: 0.1243
• Goodness-of-fit parameter for all reflections included in the refinement: 0.991
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No