Information card for entry 2201191

Structure parameters

• Formula: C22 H26 N2 O2 S2
• Calculated formula: C22 H26 N2 O2 S2
• SMILES: S1C2(SCC1)C1=Nc3c([C@@]41[C@@]1(C[C@H]2C[C@H]4N(C1=O)CCOC)CC)cccc3.S1C2(SCC1)C1=Nc3c([C@]41[C@]1(C[C@@H]2C[C@@H]4N(C1=O)CCOC)CC)cccc3
• Title of publication: A novel bridged hexahydropyrrolo[2,3-<i>d</i>]carbazole
• Authors of publication: Hökelek, Tuncer; Patır, Süleyman
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 4
• Pages of publication: o374 - o376
• a: 8.6833 ± 0.001 Å
• b: 22.975 ± 0.002 Å
• c: 9.9726 ± 0.001 Å
• α: 90°
• β: 94.675 ± 0.01°
• γ: 90°
• Cell volume: 1982.9 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 0 ± 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: 0.0906
• Residual factor for significantly intense reflections: 0.0642
• Weighted residual factors for significantly intense reflections: 0.1951
• Weighted residual factors for all reflections included in the refinement: 0.2173
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes