Information card for entry 7204505

Structure parameters

• Chemical name: 5-[2-(dimethyl-phenyl-silanyl)-1-methyl-allyl]-5-isopropyl-3 -phenyl-imidazolidine-2,4-dione
• Formula: C24 H30 N2 O2 Si
• Calculated formula: C24 H30 N2 O2 Si
• SMILES: [Si](C(=C)[C@H]([C@@]1(NC(=O)N(C1=O)c1ccccc1)C(C)C)C)(C)(C)c1ccccc1.[Si](C(=C)[C@@H]([C@]1(NC(=O)N(C1=O)c1ccccc1)C(C)C)C)(C)(C)c1ccccc1
• Title of publication: Synthesis of ??,??-disubstituted unnatural amino acid derivatives using the aza-[2,3]-Wittig sigmatropic rearrangement
• Authors of publication: Anderson, James C.; Skerratt, Sarah
• Journal of publication: Journal of the Chemical Society, Perkin Transactions 1
• Year of publication: 2002
• Journal issue: 24
• Pages of publication: 2871
• a: 12.9645 ± 0.001 Å
• b: 7.7486 ± 0.0006 Å
• c: 23.421 ± 0.002 Å
• α: 90°
• β: 92.797 ± 0.001°
• γ: 90°
• Cell volume: 2350 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0772
• Residual factor for significantly intense reflections: 0.05
• Weighted residual factors for significantly intense reflections: 0.134
• Weighted residual factors for all reflections included in the refinement: 0.1493
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No