Information card for entry 2008286

Structure parameters

• Chemical name: 2,2,5,5-tetramethyl-hex-3-yne
• Formula: C10 H18
• Calculated formula: C10 H18
• SMILES: CC(C#CC(C)(C)C)(C)C
• Title of publication: 2,2,5,5-Tetramethylhex-3-yne at 281K
• Authors of publication: Boese, Roland; Bläser, Dieter; Latz, Rüdiger; Bäumen, Anja
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 3
• Pages of publication: IUC9900016
• a: 17.836 ± 0.004 Å
• b: 9.805 ± 0.002 Å
• c: 5.813 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1016.6 ± 0.4 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 2
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.063
• Residual factor for significantly intense reflections: 0.05
• Weighted residual factors for all reflections included in the refinement: 0.145
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No