Information card for entry 1504227

Structure parameters

• Formula: C18 H26 O2 Si
• Calculated formula: C18 H26 O2 Si
• SMILES: [Si](OC[C@]12O[C@@H](C=C2C)c2ccccc12)(C)(C)C(C)(C)C
• Title of publication: Conformational effects in diastereoselective aryne Diels-Alder reactions: synthesis of benzo-fused [2.2.1] heterobicycles.
• Authors of publication: Webster, Robert; Lautens, Mark
• Journal of publication: Organic letters
• Year of publication: 2009
• Journal volume: 11
• Journal issue: 20
• Pages of publication: 4688 - 4691
• a: 5.9876 ± 0.0005 Å
• b: 7.3491 ± 0.0003 Å
• c: 19.9858 ± 0.0018 Å
• α: 90°
• β: 97.689 ± 0.003°
• γ: 90°
• Cell volume: 871.54 ± 0.11 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0724
• Residual factor for significantly intense reflections: 0.0555
• Weighted residual factors for significantly intense reflections: 0.1285
• Weighted residual factors for all reflections included in the refinement: 0.1405
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No