Information card for entry 1516745

Structure parameters

• Formula: C38 H42 O2 Si2
• Calculated formula: C38 H42 O2 Si2
• SMILES: [Si](C)(C)(C(=C(C#CC#C/C(=C(\[Si](C)(C)C)C#Cc1ccc(OC)cc1)CC=C)\CC=C)\C#Cc1ccc(OC)cc1)C
• Title of publication: New zirconium-mediated approach toward regio- and stereocontrolled synthesis of trans-enediynes.
• Authors of publication: Liu, Yuanhong; Gao, Hongjun
• Journal of publication: Organic letters
• Year of publication: 2006
• Journal volume: 8
• Journal issue: 2
• Pages of publication: 309 - 311
• a: 19.596 ± 0.002 Å
• b: 7.5959 ± 0.0009 Å
• c: 12.4831 ± 0.0014 Å
• α: 90°
• β: 107.84 ± 0.002°
• γ: 90°
• Cell volume: 1768.8 ± 0.3 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: 0.0748
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for significantly intense reflections: 0.104
• Weighted residual factors for all reflections included in the refinement: 0.112
• Goodness-of-fit parameter for all reflections included in the refinement: 0.888
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No