Information card for entry 2213591

Structure parameters

• Chemical name: 4-Methoxy-4a-nitro-9-(phenylsulfonyl)-4,4a,9,9a-tetrahydro-1H-carbazol-2(3H)-one
• Formula: C19 H18 N2 O6 S
• Calculated formula: C19 H18 N2 O6 S
• SMILES: S(=O)(=O)(N1c2c([C@]3(N(=O)=O)[C@H](OC)CC(=O)C[C@H]13)cccc2)c1ccccc1.S(=O)(=O)(N1c2c([C@@]3(N(=O)=O)[C@@H](OC)CC(=O)C[C@@H]13)cccc2)c1ccccc1
• Title of publication: 4-Methoxy-4a-nitro-9-(phenylsulfonyl)-4,4a,9,9a-tetrahydro-1<i>H</i>-carbazol-2(3<i>H</i>)-one
• Authors of publication: Kishbaugh, T. L. S.; Gribble, Gordon W.; Jasinski, Jerry P.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 5
• Pages of publication: o2470 - o2471
• a: 23.352 ± 0.006 Å
• b: 15.085 ± 0.014 Å
• c: 10.952 ± 0.009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3858 ± 5 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.34
• Residual factor for significantly intense reflections: 0.055
• Weighted residual factors for significantly intense reflections: 0.129
• Weighted residual factors for all reflections included in the refinement: 0.255
• Goodness-of-fit parameter for all reflections included in the refinement: 0.93
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes