Information card for entry 2015463

Structure parameters

• Common name: 1-adamantylgermatrane
• Chemical name: 1-adamantyl-2,8,9-trioxa-5-aza-1-germabicyclo[3.3.3]undecane
• Formula: C16 H27 Ge N O3
• Calculated formula: C16 H27 Ge N O3
• SMILES: [Ge]123(OCC[N]3(CCO1)CCO2)C12CC3CC(C2)CC(C1)C3
• Title of publication: Two germatranes with bulky substituents
• Authors of publication: Korlyukov, Alexander A.; Komissarov, Eugene A.; Alekseev, Nikolay V.; Pavlov, Konstantin V.; Krivolapova, Olga V.; Lachtin, Valentin G.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 7
• Pages of publication: m303 - m305
• a: 10.641 ± 0.006 Å
• b: 7.292 ± 0.004 Å
• c: 19.943 ± 0.011 Å
• α: 90°
• β: 90.001 ± 0.012°
• γ: 90°
• Cell volume: 1547.5 ± 1.5 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.051
• Residual factor for significantly intense reflections: 0.0376
• Weighted residual factors for significantly intense reflections: 0.0969
• Weighted residual factors for all reflections included in the refinement: 0.1077
• Goodness-of-fit parameter for all reflections included in the refinement: 0.965
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes