Information card for entry 1542392

Structure parameters

• Formula: C20 H17 N O5 S
• Calculated formula: C20 H17 N O5 S
• SMILES: N1(O)C(C(c2ccccc12)(C(=O)OC)C(=O)OC)c1cc2ccccc2s1
• Title of publication: Rh(III)-Catalyzed C-H Cyclization of Arylnitrones with Diazo Compounds: Access to N-Hydroxyindolines.
• Authors of publication: Dateer, Ramesh B.; Chang, Sukbok
• Journal of publication: Organic letters
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 1
• Pages of publication: 68 - 71
• a: 8.6285 ± 0.0008 Å
• b: 12.7114 ± 0.0012 Å
• c: 16.784 ± 0.0017 Å
• α: 90°
• β: 101.358 ± 0.004°
• γ: 90°
• Cell volume: 1804.8 ± 0.3 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0512
• Residual factor for significantly intense reflections: 0.0364
• Weighted residual factors for significantly intense reflections: 0.0867
• Weighted residual factors for all reflections included in the refinement: 0.0943
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No