Information card for entry 4027117

Structure parameters

• Formula: C34 H55 N O6 Si
• Calculated formula: C34 H55 N O6 Si
• SMILES: [Si](OC(=O)N(CC[C@H](O)C1=C[C@@H](OC1=O)O[C@H]1[C@@H](CC[C@H](C1)C)C(C)C)Cc1ccccc1)(C(C)C)(C(C)C)C(C)C
• Title of publication: Formation of Optically Pure Cyclic Amines by Intramolecular Conjugate Displacement
• Authors of publication: Ping Cheng; Derrick L. J. Clive
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2012
• Journal volume: 77
• Pages of publication: 3348 - 3364
• a: 12.547 ± 0.008 Å
• b: 8.87 ± 0.005 Å
• c: 16.302 ± 0.01 Å
• α: 90°
• β: 100.639 ± 0.006°
• γ: 90°
• Cell volume: 1783.1 ± 1.9 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 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: 0.0944
• Residual factor for significantly intense reflections: 0.0736
• Weighted residual factors for significantly intense reflections: 0.1908
• Weighted residual factors for all reflections included in the refinement: 0.2132
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No