Information card for entry 1506906

Structure parameters

• Formula: C28 H33 N3 O4 Si
• Calculated formula: C28 H33 N3 O4 Si
• SMILES: [Si](O[C@H]1[C@@]2(N=CN(C2=O)Cc2ccccc2)[C@H]2C(=O)N(C(=O)[C@H]2C1)c1ccccc1)(C)(C)C(C)(C)C.[Si](O[C@@H]1[C@]2(N=CN(C2=O)Cc2ccccc2)[C@@H]2C(=O)N(C(=O)[C@@H]2C1)c1ccccc1)(C)(C)C(C)(C)C
• Title of publication: Oxidative rearrangement of imidazoles with dimethyldioxirane.
• Authors of publication: Lovely, Carl J.; Du, Hongwang; He, Yong; Rasika Dias, H. V.
• Journal of publication: Organic letters
• Year of publication: 2004
• Journal volume: 6
• Journal issue: 5
• Pages of publication: 735 - 738
• a: 22.019 ± 0.004 Å
• b: 10.433 ± 0.002 Å
• c: 12.03 ± 0.002 Å
• α: 90°
• β: 93.25 ± 0.03°
• γ: 90°
• Cell volume: 2759.1 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0925
• Residual factor for significantly intense reflections: 0.0678
• Weighted residual factors for all reflections: 0.1863
• Weighted residual factors for significantly intense reflections: 0.1739
• Goodness-of-fit parameter for all reflections: 1.037
• Goodness-of-fit parameter for significantly intense reflections: 1.226
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No