Information card for entry 2007124

Structure parameters

• Chemical name: 3,3'-dimethyl-3,3'-bis-(tert-butyldimethylsilyloxy)-octa-1,1'-diyne
• Formula: C22 H42 O2 Si2
• Calculated formula: C22 H42 O2 Si2
• SMILES: C[Si](C)(C(C)(C)C)O[C@](C#C)(CC[C@@](C#C)(C)O[Si](C)(C)C(C)(C)C)C
• Title of publication: <i>meso</i>-3,6-Dimethyl-3,6-bis(<i>tert</i>-butyldimethylsilyloxy)-1,7-octadiyne
• Authors of publication: Wicki, Andreas; Grüschow, Sabine; Lüthi, Therese; von Grothe, Julia; Capelli, Silvia; Hauser, Jürg; Keese, Reinhart
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 3
• Pages of publication: 382 - 384
• a: 14.458 ± 0.001 Å
• b: 7.569 ± 0.001 Å
• c: 12.768 ± 0.001 Å
• α: 90°
• β: 105.8 ± 0.01°
• γ: 90°
• Cell volume: 1344.4 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.067
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for all reflections included in the refinement: 0.154
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No