Information card for entry 4066538

Structure parameters

• Chemical name: 1,2-C6H10(NHTs)2
• Formula: C24 H34 N2 O4 S2
• Calculated formula: C24 H34 N2 O4 S2
• SMILES: [C@H]1([C@H](CCCC1)NS(=O)(=O)c1c(cc(cc1C)C)C)NS(=O)(=O)c1c(cc(cc1C)C)C.[C@@H]1([C@@H](CCCC1)NS(=O)(=O)c1c(cc(cc1C)C)C)NS(=O)(=O)c1c(cc(cc1C)C)C
• Title of publication: Ligand Variations in New Sulfonamide-Supported Group 4 Ring-Opening Polymerization Catalysts
• Authors of publication: Schwarz, Andrew D.; Herbert, Katherine R.; Paniagua, Cristina; Mountford, Philip
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 18
• Pages of publication: 4171
• a: 7.8913 ± 0.0003 Å
• b: 8.2462 ± 0.0004 Å
• c: 19.0435 ± 0.0009 Å
• α: 88.423 ± 0.002°
• β: 89.411 ± 0.002°
• γ: 75.9003 ± 0.0018°
• Cell volume: 1201.43 ± 0.09 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0693
• Residual factor for significantly intense reflections: 0.0478
• Weighted residual factors for all reflections: 0.0726
• Weighted residual factors for significantly intense reflections: 0.0567
• Weighted residual factors for all reflections included in the refinement: 0.0567
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0544
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No