Information card for entry 4025306

Structure parameters

• Formula: C23 H34 O3 Si
• Calculated formula: C23 H34 O3 Si
• SMILES: [C@@H]12c3ccccc3[C@H](C[C@@H]1[C@]2(C(=O)OC)C(=C\C)\O[Si](C)(C)C(C)(C)C)C
• Title of publication: Controlling Factors for C-H Functionalization versus Cyclopropanation of Dihydronaphthalenes
• Authors of publication: Etienne Nadeau; Dominic L. Ventura; Jonathan A. Brekan; Huw M. L. Davies
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2010
• Journal volume: 75
• Pages of publication: 1927 - 1939
• a: 11.3659 ± 0.0005 Å
• b: 8.253 ± 0.0004 Å
• c: 24.6381 ± 0.001 Å
• α: 90°
• β: 96.389 ± 0.003°
• γ: 90°
• Cell volume: 2296.77 ± 0.18 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0667
• Residual factor for significantly intense reflections: 0.0514
• Weighted residual factors for significantly intense reflections: 0.1283
• Weighted residual factors for all reflections included in the refinement: 0.1458
• Goodness-of-fit parameter for all reflections included in the refinement: 1.109
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No