Information card for entry 1512199

Structure parameters

• Formula: C26 H22 Cl2 N2 O7 S
• Calculated formula: C26 H22 Cl2 N2 O7 S
• SMILES: S(=O)(=O)(N1[C@H](OC(=O)c2c(Cl)cc(Cl)cc2)[C@]2(NC(=O)OC2)c2c1cccc2)c1ccccc1.O=C(C)C
• Title of publication: Iron(II)-Catalyzed Asymmetric Intramolecular Aminohydroxylation of Indoles.
• Authors of publication: Zhang, Yong-Qiang; Yuan, Yong-An; Liu, Guan-Sai; Xu, Hao
• Journal of publication: Organic letters
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 15
• Pages of publication: 3910 - 3913
• a: 9.679 ± 0.0007 Å
• b: 11.8883 ± 0.0008 Å
• c: 22.4824 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2587 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0572
• Residual factor for significantly intense reflections: 0.0482
• Weighted residual factors for significantly intense reflections: 0.1153
• Weighted residual factors for all reflections included in the refinement: 0.1218
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No