Information card for entry 7152456

Structure parameters

• Formula: C22 H30 Cl3 N O4
• Calculated formula: C22 H30 Cl3 N O4
• SMILES: ClC(Cl)(Cl)C(OC(=O)N([C@H](c1ccccc1)C)[C@@H](C(=O)OCCCC)CC=C)(C)C.ClC(Cl)(Cl)C(OC(=O)N([C@@H](c1ccccc1)C)[C@H](C(=O)OCCCC)CC=C)(C)C
• Title of publication: Remote stereocontrol in reactions between 4- and 5-alkoxyalk-2-enylstannanes and 1-alkoxycarbonylimines and analogues: stereoselective approaches to novel α-amino acids.
• Authors of publication: Hallett, David J.; Tanikkul, Nongluk; Thomas, Eric J.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2012
• Journal volume: 10
• Journal issue: 30
• Pages of publication: 6130 - 6158
• a: 11.185 ± 0.005 Å
• b: 11.218 ± 0.01 Å
• c: 10.307 ± 0.005 Å
• α: 104.76 ± 0.05°
• β: 91.6 ± 0.04°
• γ: 100.21 ± 0.05°
• Cell volume: 1227.1 ± 1.4 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.101
• Residual factor for significantly intense reflections: 0.0725
• Weighted residual factors for significantly intense reflections: 0.204
• Weighted residual factors for all reflections included in the refinement: 0.2327
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No