Information card for entry 1506237

Structure parameters

• Common name: 03097
• Formula: C12 H19 N O4 Si
• Calculated formula: C12 H19 N O4 Si
• SMILES: [Si](C)(C)(C)O[C@@]12N(C(=O)C=C1)CC[C@H]2C(=O)OC.[Si](C)(C)(C)O[C@]12N(C(=O)C=C1)CC[C@@H]2C(=O)OC
• Title of publication: Silylative Dieckmann-like cyclizations of ester-imides (and diesters).
• Authors of publication: Hoye, Thomas R.; Dvornikovs, Vadims; Sizova, Elena
• Journal of publication: Organic letters
• Year of publication: 2006
• Journal volume: 8
• Journal issue: 23
• Pages of publication: 5191 - 5194
• a: 17.935 ± 0.004 Å
• b: 6.408 ± 0.001 Å
• c: 12.934 ± 0.003 Å
• α: 90°
• β: 99.607 ± 0.003°
• γ: 90°
• Cell volume: 1465.6 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.117
• Residual factor for significantly intense reflections: 0.0937
• Weighted residual factors for significantly intense reflections: 0.2
• Weighted residual factors for all reflections included in the refinement: 0.2115
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No