Information card for entry 1508195

Structure parameters

• Formula: C62 H98 Ge O Si
• Calculated formula: C62 H97 Ge O Si
• SMILES: [Ge](O[SiH2]c1ccccc1)(c1c2C(CC(c2cc2C(CC)(CC)CC(c12)(CC)CC)(CC)CC)(CC)CC)c1c2C(CC)(CC)CC(c2cc2C(CC(c12)(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: 14.521 ± 0.002 Å
• b: 22.215 ± 0.003 Å
• c: 17.36 ± 0.003 Å
• α: 90°
• β: 97.761 ± 0.002°
• γ: 90°
• Cell volume: 5548.8 ± 1.4 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0955
• Residual factor for significantly intense reflections: 0.0726
• Weighted residual factors for significantly intense reflections: 0.1626
• Weighted residual factors for all reflections included in the refinement: 0.177
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No