Information card for entry 7157066

Structure parameters

• Formula: C23 H23 N O8 S
• Calculated formula: C23 H23 N O8 S
• Title of publication: Controllable construction of isoquinolinedione and isocoumarin scaffolds via Rh^III-catalyzed C-H annulation of N-tosylbenzamides with diazo compounds.
• Authors of publication: Liu, Yanfei; Wu, Jiaping; Qian, Baiyang; Shang, Yongjia
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2019
• Journal volume: 17
• Journal issue: 38
• Pages of publication: 8768 - 8777
• a: 7.6514 ± 0.0003 Å
• b: 11.634 ± 0.0004 Å
• c: 13.327 ± 0.0005 Å
• α: 76.022 ± 0.002°
• β: 79.269 ± 0.002°
• γ: 86.003 ± 0.002°
• Cell volume: 1130.68 ± 0.07 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 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 all reflections: 0.0613
• Residual factor for significantly intense reflections: 0.0465
• Weighted residual factors for significantly intense reflections: 0.1398
• Weighted residual factors for all reflections included in the refinement: 0.1566
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No