Information card for entry 7111532

Structure parameters

• Formula: C19 H23 N O Si
• Calculated formula: C19 H23 N O Si
• SMILES: n1(c2cccc3c2c(c1)CC1(C(=O)C3=CCC1)[Si](C)(C)C)C
• Title of publication: Bridgehead enolates and bridgehead alkenes in a welwistatin model series
• Authors of publication: Boissel, Valerie; Simpkins, Nigel S.; Bhalay, Gurdip; Blake, Alexander J.; Lewis, William
• Journal of publication: Chemical Communications
• Year of publication: 2009
• Journal issue: 11
• Pages of publication: 1398 - 1400
• a: 23.565 ± 0.002 Å
• b: 10.8079 ± 0.001 Å
• c: 6.5185 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1660.2 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0502
• Residual factor for significantly intense reflections: 0.0349
• Weighted residual factors for significantly intense reflections: 0.0694
• Weighted residual factors for all reflections included in the refinement: 0.0741
• Goodness-of-fit parameter for all reflections included in the refinement: 0.93
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No