Information card for entry 7159322

Structure parameters

• Formula: C18 H28 O5 Si
• Calculated formula: C18 H28 O5 Si
• SMILES: c1(cc(c(c(c1)OC)O[Si](C)(C)C(C)(C)C)OC)[C@@H]1COC(=O)C1
• Title of publication: An expedient copper-catalysed asymmetric synthesis of γ-lactones and γ-lactams. Application to the synthesis of lucidulactone A.
• Authors of publication: Ojo, O. Stephen; Hughes, David L.; Richards, Christopher J.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2023
• Journal volume: 21
• Journal issue: 19
• Pages of publication: 4144 - 4149
• a: 7.1914 ± 0.0004 Å
• b: 10.5484 ± 0.0005 Å
• c: 24.6032 ± 0.0013 Å
• α: 90°
• β: 91.051 ± 0.004°
• γ: 90°
• Cell volume: 1866.03 ± 0.17 ų
• Cell temperature: 100 ± 0.11 K
• Ambient diffraction temperature: 100.01 ± 0.1 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: 0.0481
• Weighted residual factors for significantly intense reflections: 0.0988
• Weighted residual factors for all reflections included in the refinement: 0.1049
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No