Information card for entry 4104544

Structure parameters

• Formula: C23 H41 N O4
• Calculated formula: C23 H41 N O4
• SMILES: O[C@@H](C(=C\CCCC)/C1CCCCC1)[C@H]1N(C(OC1)(C)C)C(=O)OC(C)(C)C
• Title of publication: One-Pot Multicomponent Coupling Methods for the Synthesis of Diastereo- and Enantioenriched (Z)-Trisubstituted Allylic Alcohols
• Authors of publication: Michael H. Kerrigan; Sang-Jin Jeon; Young K. Chen; Luca Salvi; Patrick J. Carroll; Patrick J. Walsh
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2009
• Journal volume: 131
• Pages of publication: 8434 - 8445
• a: 6.1776 ± 0.0007 Å
• b: 10.4112 ± 0.0012 Å
• c: 18.857 ± 0.002 Å
• α: 90°
• β: 92.794 ± 0.003°
• γ: 90°
• Cell volume: 1211.4 ± 0.2 ų
• Cell temperature: 143 ± 1 K
• Ambient diffraction temperature: 143 ± 1 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0639
• Residual factor for significantly intense reflections: 0.0342
• Weighted residual factors for significantly intense reflections: 0.0661
• Weighted residual factors for all reflections included in the refinement: 0.0787
• Goodness-of-fit parameter for all reflections included in the refinement: 0.909
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No