Information card for entry 7150066

Structure parameters

• Formula: C41 H56 Cu N4 O6
• Calculated formula: C41 H56 Cu N4 O6
• SMILES: [Cu]123Oc4c(cc(cc4C=[N]2[C@H]2[C@@H](O[C@@H]([C@@H]2[N]3=Cc2c(c(cc(c2)C(C)(C)C)C(C)(C)C)O1)COC)N1C=CC(=O)N(C1=O)C)C(C)(C)C)C(C)(C)C
• Title of publication: Synthesis and crystal structure of a salen-type copper(II) complex derived from 3,5'-O-dimethyl-2',3'-diamino-2',3'-dideoxy-beta-D-xylo-uridine.
• Authors of publication: Gottschaldt, Michael; Koth, Daniel; Görls, Helmar
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2005
• Journal volume: 3
• Journal issue: 7
• Pages of publication: 1170 - 1171
• a: 11.48 ± 0.0003 Å
• b: 12.8012 ± 0.0004 Å
• c: 28.1994 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4144.1 ± 0.2 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 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: 0.0775
• Residual factor for significantly intense reflections: 0.0534
• Weighted residual factors for significantly intense reflections: 0.1039
• Weighted residual factors for all reflections included in the refinement: 0.1155
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No