Information card for entry 2201329

Structure parameters

• Common name: (Trimethylsilyl)acetylene
• Formula: C5 H10 Si
• Calculated formula: C5 H10 Si
• SMILES: [Si](C)(C)(C)C#C
• Title of publication: (Trimethylsilyl)acetylene
• Authors of publication: Bond, Andrew D.; Davies, John E.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 7
• Pages of publication: o777 - o778
• a: 10.868 ± 0.002 Å
• b: 5.742 ± 0.001 Å
• c: 17.19 ± 0.002 Å
• α: 90°
• β: 91.31 ± 0.01°
• γ: 90°
• Cell volume: 1072.4 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1091
• Residual factor for significantly intense reflections: 0.0961
• Weighted residual factors for significantly intense reflections: 0.2587
• Weighted residual factors for all reflections included in the refinement: 0.2726
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes