Information card for entry 2220570

Structure parameters

• Common name: 2-Trimethylsiloxy-adamantane-2-carbonitrile
• Chemical name: 2-(Trimethylsiloxy)adamantane-2-carbonitrile
• Formula: C14 H23 N O Si
• Calculated formula: C14 H23 N O Si
• SMILES: [Si](OC1(C2CC3CC1CC(C2)C3)C#N)(C)(C)C
• Title of publication: 2-(Trimethylsiloxy)adamantane-2-carbonitrile
• Authors of publication: Betz, Richard; Klüfers, Peter; Mayer, Peter
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 1
• Pages of publication: o207
• a: 6.712 ± 0.002 Å
• b: 9.44 ± 0.003 Å
• c: 12.439 ± 0.002 Å
• α: 106.19 ± 0.02°
• β: 102.35 ± 0.02°
• γ: 100.34 ± 0.03°
• Cell volume: 715 ± 0.4 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0508
• Residual factor for significantly intense reflections: 0.0356
• Weighted residual factors for significantly intense reflections: 0.0927
• Weighted residual factors for all reflections included in the refinement: 0.0987
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes