Information card for entry 7152758

Structure parameters

• Formula: C43 H48 Cl2 N2 O16
• Calculated formula: C43 H48 Cl2 N2 O16
• SMILES: N1(C(=O)C(=C2\C(=O)N(c3c2cc(cc3)C)[C@H]2O[C@H]([C@H](OC(=O)C)[C@@H](OC(=O)C)[C@H]2OC(=O)C)C)\c2cc(ccc12)C)[C@H]1O[C@H]([C@H](OC(=O)C)[C@@H](OC(=O)C)[C@H]1OC(=O)C)C.C(Cl)Cl
• Title of publication: Synthesis of N,N'-diglycosylated isoindigos.
• Authors of publication: Kleeblatt, Dennis; Siyo, Baraa; Hein, Martin; Iaroshenko, Viktor O.; Iqbal, Jamshed; Villinger, Alexander; Langer, Peter
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2013
• Journal volume: 11
• Journal issue: 6
• Pages of publication: 886 - 895
• a: 16.6672 ± 0.0007 Å
• b: 33.1447 ± 0.0012 Å
• c: 8.1871 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4522.8 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.0821
• Residual factor for significantly intense reflections: 0.0516
• Weighted residual factors for significantly intense reflections: 0.1196
• Weighted residual factors for all reflections included in the refinement: 0.1307
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No