Information card for entry 7110117

Structure parameters

• Formula: C55 H69 Co N4 O8 S
• Calculated formula: C55 H69 Co N4 O8 S
• SMILES: [Co]1234(Oc5ccccc5C(=[N]3CC[N]4=Cc3cc(cc(c3O1)C(C)(C)C)C(C)(C)C)c1c(O)cccc1)[NH2][C@H]([C@@H]([NH2]2)c1ccccc1)c1ccccc1.S(=O)(=O)([O-])c1ccc(cc1)C.OCC.OCC.[Co]1234(Oc5ccccc5C(=[N]3CC[N]4=Cc3cc(cc(c3O1)C(C)(C)C)C(C)(C)C)c1c(O)cccc1)[NH2][C@@H]([C@H]([NH2]2)c1ccccc1)c1ccccc1.S(=O)(=O)([O-])c1ccc(cc1)C.OCC.OCC
• Title of publication: Controlling helical chirality of cobalt complexes by chirality transfer from vicinal diamines
• Authors of publication: Min-Seob Seo; Kiseong Kim; Hyunwoo Kim
• Journal of publication: Chem.Commun.
• Year of publication: 2013
• Journal volume: 49
• Pages of publication: 11623
• a: 13.631 ± 0.003 Å
• b: 14.137 ± 0.003 Å
• c: 14.402 ± 0.003 Å
• α: 98.858 ± 0.005°
• β: 95.1 ± 0.005°
• γ: 105.071 ± 0.005°
• Cell volume: 2623.6 ± 1 ų
• Cell temperature: 147 ± 2 K
• Ambient diffraction temperature: 147 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1071
• Residual factor for significantly intense reflections: 0.057
• Weighted residual factors for significantly intense reflections: 0.1228
• Weighted residual factors for all reflections included in the refinement: 0.143
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No