Information card for entry 4024712

Structure parameters

• Formula: C28 H28 N2 O5 S
• Calculated formula: C28 H28 N2 O5 S
• SMILES: S(=O)(=O)(N1C(OC[C@@H]1/C=C/C1[C@H]([C@@H]1c1ccccc1)c1ccccc1)(C)C)c1ccc(N(=O)=O)cc1.S(=O)(=O)(N1C(OC[C@H]1/C=C/C1[C@@H]([C@H]1c1ccccc1)c1ccccc1)(C)C)c1ccc(N(=O)=O)cc1
• Title of publication: Anionic Halocuprate(II) Complexes as Catalysts for the Oxaziridine-Mediated Aminohydroxylation of Olefins
• Authors of publication: Tamas Benkovics; Juana Du; Ilia A. Guzei; Tehshik P. Yoon
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2009
• Journal volume: 74
• Pages of publication: 5545 - 5552
• a: 22.916 ± 0.006 Å
• b: 27.217 ± 0.009 Å
• c: 7.899 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4927 ± 2 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.0401
• Residual factor for significantly intense reflections: 0.0346
• Weighted residual factors for significantly intense reflections: 0.087
• Weighted residual factors for all reflections included in the refinement: 0.0904
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: Cu-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No