Information card for entry 7153972

Structure parameters

• Formula: C22 H23 N O7 S
• Calculated formula: C22 H23 N O7 S
• SMILES: S(=O)(=O)(N1C(=O)CCOC(CC(=O)OCC)C(=O)c2c1cccc2)c1ccc(cc1)C
• Title of publication: Stereoselective synthesis of C-fused pyranoindoles, pyranobenzofurans and pyranobenzothiophene scaffolds using oxa-Pictet-Spengler type reaction of vinylogous carbonates.
• Authors of publication: Gharpure, Santosh J.; Prasath, V.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2014
• Journal volume: 12
• Journal issue: 37
• Pages of publication: 7397 - 7409
• a: 7.44 ± 0.005 Å
• b: 10.513 ± 0.007 Å
• c: 13.472 ± 0.009 Å
• α: 83.084 ± 0.017°
• β: 86.07 ± 0.02°
• γ: 86.796 ± 0.018°
• Cell volume: 1042.4 ± 1.2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0769
• Weighted residual factors for all reflections included in the refinement: 0.1773
• Goodness-of-fit parameter for all reflections included in the refinement: 1.239
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No