Information card for entry 4311440

Structure parameters

• Formula: C22 H34 Cu N5 O12
• Calculated formula: C22 H33 Cu N5 O12
• SMILES: [Cu]123([O]([C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)CO)CC[N]1(Cc1[n]2cccc1)Cc1[n]3cccc1)[O]=N(=O)C.O=N(=O)[O-].OC
• Title of publication: Control of Oxygen Atom Chirality and Chelate Ring Conformation by Protected/Free Sugar Hydroxyl Groups in Glucose-Pendant Dipicolylamine-Copper(II) Complexes
• Authors of publication: Yuji Mikata; Yuko Sugai; Shigenobu Yano
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 4778 - 4780
• a: 8.7208 ± 0.0007 Å
• b: 16.3103 ± 0.0011 Å
• c: 9.8981 ± 0.0008 Å
• α: 90°
• β: 104.383 ± 0.004°
• γ: 90°
• Cell volume: 1363.77 ± 0.18 ų
• Cell temperature: 173.1 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for significantly intense reflections: 0.033
• Weighted residual factors for all reflections included in the refinement: 0.086
• Goodness-of-fit parameter for all reflections included in the refinement: 0.947
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKalpha
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No