Information card for entry 4122423

Structure parameters

• Formula: C24 H28 Cl N O4 S
• Calculated formula: C24 H28 Cl N O4 S
• SMILES: S(=O)(=O)(N1[C@@H](C(=C[C@@H]1C(C)(C)C)C(=O)OCC)c1ccc(Cl)cc1)c1c(cccc1)C
• Title of publication: Hydroxyproline-Derived Pseudoenantiomeric [2.2.1] Bicyclic Phosphines: Asymmetric Synthesis of (+)- and (-)-Pyrrolines.
• Authors of publication: Henry, Christopher E.; Xu, Qihai; Fan, Yi Chiao; Martin, Tioga J.; Belding, Lee; Dudding, Travis; Kwon, Ohyun
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2014
• Journal volume: 136
• Journal issue: 34
• Pages of publication: 11890
• a: 9.2056 ± 0.0018 Å
• b: 10.937 ± 0.002 Å
• c: 11.481 ± 0.002 Å
• α: 90°
• β: 90.869 ± 0.002°
• γ: 90°
• Cell volume: 1155.8 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.029
• Residual factor for significantly intense reflections: 0.0284
• Weighted residual factors for significantly intense reflections: 0.0786
• Weighted residual factors for all reflections included in the refinement: 0.0793
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No