Information card for entry 7204504

Structure parameters

• Formula: C24 H40 N2 O3 Si
• Calculated formula: C24 H40 N2 O3 Si
• SMILES: [Si](C(=C)[C@@H]([C@@](NC(=O)OC(C)(C)C)(C)C(=O)N(CC)CC)C)(C)(C)c1ccccc1.[Si](C(=C)[C@H]([C@](NC(=O)OC(C)(C)C)(C)C(=O)N(CC)CC)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: 9.4034 ± 0.0008 Å
• b: 18.252 ± 0.002 Å
• c: 15.3571 ± 0.0013 Å
• α: 90°
• β: 103.981 ± 0.002°
• γ: 90°
• Cell volume: 2557.7 ± 0.4 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: 0.1003
• Residual factor for significantly intense reflections: 0.0447
• Weighted residual factors for significantly intense reflections: 0.1001
• Weighted residual factors for all reflections included in the refinement: 0.1209
• Goodness-of-fit parameter for all reflections included in the refinement: 0.931
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No