Information card for entry 7219491

Structure parameters

• Chemical name: (3aS*,10aS*,10bS*)-2-methyl-10-tosyl-4,10,10a,10b-tetrahydropyrrolo[3,4-a]carbazole-1,3(2H,3aH)-dione
• Formula: C22 H20 N2 O4 S
• Calculated formula: C22 H20 N2 O4 S
• SMILES: S(=O)(=O)(N1c2ccccc2C2=CC[C@@H]3C(=O)N(C)C(=O)[C@@H]3[C@H]12)c1ccc(cc1)C.S(=O)(=O)(N1c2ccccc2C2=CC[C@H]3C(=O)N(C)C(=O)[C@H]3[C@@H]12)c1ccc(cc1)C
• 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: 10.5141 ± 0.0008 Å
• b: 17.9454 ± 0.0011 Å
• c: 11.0976 ± 0.0008 Å
• α: 90°
• β: 113.865 ± 0.009°
• γ: 90°
• Cell volume: 1914.9 ± 0.3 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.0525
• Residual factor for significantly intense reflections: 0.0409
• Weighted residual factors for significantly intense reflections: 0.0943
• Weighted residual factors for all reflections included in the refinement: 0.1019
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No