Information card for entry 7219490

Structure parameters

• Chemical name: (3aS*,5S*,10bS*)-5-(hydroxy(o-tolyl)amino)-10-tosyl-4,5,10,10b-tetrahydropyrrolo[3,4-a]carbazole-1,3(2H,3aH)-dione
• Formula: C29 H26 Cl3 N3 O5 S
• Calculated formula: C29 H26 Cl3 N3 O5 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: 10.0614 ± 0.0005 Å
• b: 10.2208 ± 0.0005 Å
• c: 15.2649 ± 0.0007 Å
• α: 104.231 ± 0.004°
• β: 95.071 ± 0.004°
• γ: 109.24 ± 0.004°
• Cell volume: 1411.79 ± 0.13 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0537
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for significantly intense reflections: 0.1265
• Weighted residual factors for all reflections included in the refinement: 0.1296
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No