Information card for entry 1504905

Structure parameters

• Formula: C19 H32 N2 O5 Si2
• Calculated formula: C19 H32 N2 O5 Si2
• SMILES: C[Si](C)(C)O[C@]1([C@H]2[C@@H](CC(=O)[C@@H]1[C@H]1[C@@H]2N(C(=O)[C@@H]1C#N)C)O[Si](C)(C)C)OC.C[Si](C)(C)O[C@@]1([C@@H]2[C@H](CC(=O)[C@H]1[C@@H]1[C@H]2N(C(=O)[C@H]1C#N)C)O[Si](C)(C)C)OC
• Title of publication: A concise approach to a gelsemine core structure using an oxygen to carbon bridge swapping strategy.
• Authors of publication: Tchabanenko, Kirill; Simpkins, Nigel S.; Male, Louise
• Journal of publication: Organic letters
• Year of publication: 2008
• Journal volume: 10
• Journal issue: 21
• Pages of publication: 4747 - 4750
• a: 15.8689 ± 0.0008 Å
• b: 6.8068 ± 0.0003 Å
• c: 21.1152 ± 0.0008 Å
• α: 90°
• β: 92.689 ± 0.003°
• γ: 90°
• Cell volume: 2278.28 ± 0.18 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.1233
• Residual factor for significantly intense reflections: 0.0723
• Weighted residual factors for significantly intense reflections: 0.1263
• Weighted residual factors for all reflections included in the refinement: 0.1517
• Goodness-of-fit parameter for all reflections included in the refinement: 1.112
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No