Information card for entry 1518718

Structure parameters

• Common name: Organics
• Chemical name: Organics
• Formula: C18 H26 O4 Si
• Calculated formula: C18 H26 O4 Si
• SMILES: [Si](OC(=C)C12C(=O)OCC1=CC=C(OC)C=C2)(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: 16.759 ± 0.004 Å
• b: 7.4334 ± 0.0018 Å
• c: 30.141 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3754.9 ± 1.5 ų
• Cell temperature: 250 ± 2 K
• Ambient diffraction temperature: 250 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0479
• Residual factor for significantly intense reflections: 0.0388
• Weighted residual factors for significantly intense reflections: 0.0719
• Weighted residual factors for all reflections included in the refinement: 0.0773
• 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