Information card for entry 2010572

Structure parameters

• Chemical name: (1R,2R)-N,N-bis(8-quinoline sulfonylamino)-1,2-diphenylethylenediamine acetone (1\1)
• Formula: C35 H32 N4 O5 S2
• Calculated formula: C35 H26.006 N4 O5 S2
• SMILES: O=S(=O)(c1cccc2c1nccc2)N[C@@H]([C@@H](c1ccccc1)NS(=O)(=O)c1cccc2c1nccc2)c1ccccc1.CC(=O)C
• Title of publication: (1<i>R</i>,2<i>R</i>)-1,2-Diphenyl-1,2-bis(8-quinolinesulfonylamino)ethylenediamine‒acetone (1/1)
• Authors of publication: Dong, Chune; Zhang, Junlong; Zhang, Liangfu; Yu, Zuolong
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 1
• Pages of publication: e21 - e21
• a: 9.717 ± 0.002 Å
• b: 9.495 ± 0.001 Å
• c: 17.542 ± 0.003 Å
• α: 90°
• β: 97.13 ± 0.01°
• γ: 90°
• Cell volume: 1606 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0415
• Residual factor for significantly intense reflections: 0.0319
• Weighted residual factors for all reflections included in the refinement: 0.0742
• Goodness-of-fit parameter for all reflections included in the refinement: 0.944
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes