Information card for entry 4067678

Structure parameters

• Chemical name: PhCH2N(CH2CH2NHTm)2
• Formula: C13 H23 N3 O4 S2
• Calculated formula: C13 H23 N3 O4 S2
• SMILES: N(Cc1ccccc1)(CCNS(=O)(=O)C)CCNS(=O)(=O)C
• Title of publication: Sulfonamide-Supported Aluminum Catalysts for the Ring-Opening Polymerization ofrac-Lactide
• Authors of publication: Schwarz, Andrew D.; Chu, Zengyong; Mountford, Philip
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 5
• Pages of publication: 1246
• a: 9.3901 ± 0.0002 Å
• b: 15.3139 ± 0.0003 Å
• c: 11.9953 ± 0.0003 Å
• α: 90°
• β: 108.443 ± 0.0009°
• γ: 90°
• Cell volume: 1636.32 ± 0.06 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.0576
• Residual factor for significantly intense reflections: 0.0358
• Weighted residual factors for all reflections: 0.0491
• Weighted residual factors for significantly intense reflections: 0.0363
• Weighted residual factors for all reflections included in the refinement: 0.0363
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No