Information card for entry 7219494

Structure parameters

• Chemical name: ethyl 3-((3aS*,4R*,10aS*,10bS*)-1,3-dioxo-10-tosyl-1,2,3,3a,4,10,10a,10b-octahydropyrrolo[3,4-a]carbazol-4-yl)propanoate
• Formula: C26 H26 N2 O6 S
• Calculated formula: C26 H26 N2 O6 S
• Title of publication: Diastereoselective synthesis of functionalised carbazoles via a sequential Diels–Alder/ene reaction strategy
• Authors of publication: Cowell, Joseph; Abualnaja, Matokah; Morton, Stephanie; Linder, Ruth; Buckingham, Faye; Waddell, Paul G.; Probert, Michael R.; Hall, Michael J.
• Journal of publication: RSC Adv.
• Year of publication: 2015
• Journal volume: 5
• Journal issue: 21
• Pages of publication: 16125
• a: 16.084 ± 0.0002 Å
• b: 8.84163 ± 0.0001 Å
• c: 18.0999 ± 0.0002 Å
• α: 90°
• β: 106.205 ± 0.0014°
• γ: 90°
• Cell volume: 2471.69 ± 0.05 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 ± 0.1 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: 0.0392
• Residual factor for significantly intense reflections: 0.0351
• Weighted residual factors for significantly intense reflections: 0.0896
• Weighted residual factors for all reflections included in the refinement: 0.0929
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No