Information card for entry 1556107

Structure parameters

• Formula: C27 H40 O Si2 Sn
• Calculated formula: C27 H40 O Si2 Sn
• SMILES: C(=C(C#C[Si](C)(C)C)\[Si](C(C)(C)C)(c1ccccc1)c1ccccc1)(\CO)[Sn](C)(C)C
• Title of publication: Stereoselective synthesis of beta-(chloro)vinylsilanes using a regio- and (E)-stereoselective bis-stannylation of unsymmetrically substituted butadiynes: application to the synthesis of a masked triyne.
• Authors of publication: Simpkins, Simon M. E.; Kariuki, Benson M.; Aricó, Caterina S; Cox, Liam R.
• Journal of publication: Organic letters
• Year of publication: 2003
• Journal volume: 5
• Journal issue: 21
• Pages of publication: 3971 - 3974
• a: 11.8381 ± 0.0013 Å
• b: 11.6026 ± 0.0008 Å
• c: 22.301 ± 0.002 Å
• α: 90°
• β: 104.522 ± 0.007°
• γ: 90°
• Cell volume: 2965.2 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 c 1
• Hall space group symbol: P -2yc
• Residual factor for all reflections: 0.0575
• Residual factor for significantly intense reflections: 0.0456
• Weighted residual factors for significantly intense reflections: 0.1032
• Weighted residual factors for all reflections included in the refinement: 0.1089
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No