Information card for entry 7151416

Structure parameters

• Formula: C16 H24 O2 Si2
• Calculated formula: C16 H24 O2 Si2
• SMILES: [Si](C#CC1(O)C=CC(O)(C=C1)C#C[Si](C)(C)C)(C)(C)C
• Title of publication: Synthesis of differentially protected/functionalised acetylenic building blocks from p-benzoquinone and their use in the synthesis of new enediynesElectronic supplementary information (ESI) available: 400 MHz 1H NMR and 13C NMR spectra. See http://www.rsc.org/suppdata/ob/b3/b302323k/
• Authors of publication: Sankararaman, Sethuraman; Srinivasan, Manivannan
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2003
• Journal volume: 1
• Journal issue: 13
• Pages of publication: 2388
• a: 12.818 ± 0.007 Å
• b: 10.012 ± 0.005 Å
• c: 29.263 ± 0.014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3755 ± 3 ų
• Cell temperature: 115 ± 2 K
• Ambient diffraction temperature: 115 ± 2 K
• Number of distinct elements: 4
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.159
• Residual factor for significantly intense reflections: 0.0757
• Weighted residual factors for significantly intense reflections: 0.1745
• Weighted residual factors for all reflections included in the refinement: 0.2075
• Goodness-of-fit parameter for all reflections included in the refinement: 0.846
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No