Information card for entry 4303514

Structure parameters

• Chemical name: H2L_OMe
• Formula: C21 H31 N3 O5 S2
• Calculated formula: C21 H31 N3 O5 S2
• SMILES: C(COC)N(CCNS(=O)(=O)c1ccc(cc1)C)CCNS(=O)(=O)c1ccc(cc1)C
• Title of publication: Sulfonamide-Supported Group 4 Catalysts for the Ring-Opening Polymerization of ε-Caprolactone and rac-Lactide
• Authors of publication: Andrew D. Schwarz; Amber L. Thompson; Philip Mountford
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 10442 - 10454
• a: 7.3454 ± 0.0001 Å
• b: 13.0298 ± 0.0001 Å
• c: 24.3794 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2333.33 ± 0.05 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0604
• Residual factor for significantly intense reflections: 0.0298
• Weighted residual factors for all reflections: 0.0526
• Weighted residual factors for significantly intense reflections: 0.0341
• Weighted residual factors for all reflections included in the refinement: 0.0341
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No