Information card for entry 1516755

Structure parameters

• Formula: C29 H45 N O4 Si
• Calculated formula: C29 H45 N O4 Si
• SMILES: [Si](OC/C=C/[C@H]1N2[C@@H]3[C@H](O[C@@H]2C[C@@H](C1)C(=O)OCC)Cc1c3c(C(C)C)ccc1)(C)(C)C(C)(C)C
• Title of publication: Synthesis of 2,4,6-trisubstituted chiral piperidines and (-)-dendroprimine by one-pot asymmetric azaelectrocyclization protocol.
• Authors of publication: Kobayashi, Toyoharu; Hasegawa, Futoshi; Tanaka, Katsunori; Katsumura, Shigeo
• Journal of publication: Organic letters
• Year of publication: 2006
• Journal volume: 8
• Journal issue: 17
• Pages of publication: 3813 - 3816
• a: 15.255 ± 0.003 Å
• b: 10.757 ± 0.003 Å
• c: 9.418 ± 0.002 Å
• α: 90°
• β: 101.43 ± 0.02°
• γ: 90°
• Cell volume: 1514.8 ± 0.6 ų
• Cell temperature: 298 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.147
• Residual factor for significantly intense reflections: 0.143
• Weighted residual factors for all reflections: 0.273
• Weighted residual factors for significantly intense reflections: 0.273
• Weighted residual factors for all reflections included in the refinement: 0.273
• Goodness-of-fit parameter for all reflections: 27.826
• Goodness-of-fit parameter for significantly intense reflections: 10.58
• Goodness-of-fit parameter for all reflections included in the refinement: 10.58
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No