Information card for entry 7154595

Structure parameters

• Chemical name: Ethyl 2-((p-tolylsulfinyl)amino)-2-(5,6,7-trimethoxy-2-methyl-1H-inden-3-yl)acetate
• Formula: C24 H29 N O6 S
• Calculated formula: C24 H29 N O6 S
• Title of publication: Nazarov cyclization of dienylaziridines: synthesis of cyclopentadienyl/hydrinedienyl/indenyl glycines.
• Authors of publication: Sudhakar, Gangarajula; Reddy, Karla Janardhan; Nanubolu, Jagadesh Babu
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2015
• Journal volume: 13
• Journal issue: 33
• Pages of publication: 8875 - 8885
• a: 10.3258 ± 0.0009 Å
• b: 17.5826 ± 0.0015 Å
• c: 13.7351 ± 0.0012 Å
• α: 90°
• β: 101.789 ± 0.001°
• γ: 90°
• Cell volume: 2441.1 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0531
• Residual factor for significantly intense reflections: 0.0481
• Weighted residual factors for significantly intense reflections: 0.1402
• Weighted residual factors for all reflections included in the refinement: 0.1481
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No