Information card for entry 2203137

Structure parameters

• Formula: C26 H32 N2 O10
• Calculated formula: C26 H32 N2 O10
• SMILES: COC(=O)CN(c1ccccc1OCCOc1ccccc1N(CC(=O)OC)CC(=O)OC)CC(=O)OC
• Title of publication: Tetramethyl 1,2-bis(2-aminophenoxy)ethane-<i>N,N,N</i>',<i>N</i>'-tetraacetate
• Authors of publication: Rademeyer, Melanie; Barkhuizen, David A.; Maguire, Glenn E. M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 2
• Pages of publication: o213 - o215
• a: 11.201 ± 0.003 Å
• b: 13.187 ± 0.003 Å
• c: 27.217 ± 0.005 Å
• α: 90°
• β: 91.39 ± 0.017°
• γ: 90°
• Cell volume: 4019 ± 1.6 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0662
• Residual factor for significantly intense reflections: 0.0467
• Weighted residual factors for significantly intense reflections: 0.1194
• Weighted residual factors for all reflections included in the refinement: 0.1281
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes