Information card for entry 1507572

Structure parameters

• Formula: C24 H23 N O4 S
• Calculated formula: C24 H23 N O4 S
• SMILES: S(=O)(=O)(N1C(=O)[C@]([C@H]1c1ccc(OC)cc1)(C)c1ccccc1)c1ccc(cc1)C.S(=O)(=O)(N1C(=O)[C@@]([C@@H]1c1ccc(OC)cc1)(C)c1ccccc1)c1ccc(cc1)C
• Title of publication: BINAPHANE-Catalyzed Asymmetric Synthesis of trans-β-Lactams from Disubstituted Ketenes and N-Tosyl Arylimines.
• Authors of publication: Chen, Shi; Salo, Eric C.; Wheeler, Kraig A.; Kerrigan, Nessan J.
• Journal of publication: Organic letters
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 7
• Pages of publication: 1784 - 1787
• a: 22.7677 ± 0.0006 Å
• b: 9.8927 ± 0.0003 Å
• c: 20.9508 ± 0.0008 Å
• α: 90°
• β: 117.639 ± 0.002°
• γ: 90°
• Cell volume: 4180.4 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0888
• Residual factor for significantly intense reflections: 0.0543
• Weighted residual factors for significantly intense reflections: 0.1263
• Weighted residual factors for all reflections included in the refinement: 0.1449
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No