Information card for entry 1518719

Structure parameters

• Common name: Organics
• Chemical name: Organics
• Formula: C18 H26 O4 Si
• Calculated formula: C18 H26 O4 Si
• SMILES: [Si](OC1=C2C3(C=CC(C1)(C=C3)OC)COC2=O)(C)(C)C(C)(C)C
• Title of publication: Straightforward Access to the [3.2.2]Nonatriene Structural Framework via Intramolecular Cyclopropenation/Buchner Reaction/Cope Rearrangement Cascade.
• Authors of publication: Xu, Xinfang; Wang, Xiangbo; Zavalij, Peter Y.; Doyle, Michael P.
• Journal of publication: Organic letters
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 4
• Pages of publication: 790 - 793
• a: 6.1239 ± 0.0005 Å
• b: 16.8945 ± 0.0012 Å
• c: 17.8873 ± 0.0013 Å
• α: 91.468 ± 0.0009°
• β: 95.3024 ± 0.001°
• γ: 90.184 ± 0.0011°
• Cell volume: 1842.1 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0494
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.072
• Weighted residual factors for all reflections included in the refinement: 0.0761
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No