Information card for entry 1508196

Structure parameters

• Formula: C57 H90 Ge O3
• Calculated formula: C57 H90 Ge O3
• SMILES: [Ge]1(OC(=O)O1)(c1c2C(CC(c2cc2C(CC(c12)(CC)CC)(CC)CC)(CC)CC)(CC)CC)c1c2C(CC(c2cc2C(CC(c12)(CC)CC)(CC)CC)(CC)CC)(CC)CC
• Title of publication: A stable germanone as the first isolated heavy ketone with a terminal oxygen atom.
• Authors of publication: Li, Liangchun; Fukawa, Tomohide; Matsuo, Tsukasa; Hashizume, Daisuke; Fueno, Hiroyuki; Tanaka, Kazuyoshi; Tamao, Kohei
• Journal of publication: Nature chemistry
• Year of publication: 2012
• Journal volume: 4
• Journal issue: 5
• Pages of publication: 361 - 365
• a: 10.0743 ± 0.0018 Å
• b: 9.9792 ± 0.0017 Å
• c: 24.924 ± 0.005 Å
• α: 90°
• β: 90.988 ± 0.003°
• γ: 90°
• Cell volume: 2505.3 ± 0.8 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.0287
• Residual factor for significantly intense reflections: 0.0275
• Weighted residual factors for significantly intense reflections: 0.068
• Weighted residual factors for all reflections included in the refinement: 0.0689
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No