Information card for entry 7124762

Structure parameters

• Formula: C798 H638 Ca17 N72 O322
• Calculated formula: C798 H710 Ca19 N72 O322
• Title of publication: Crystal structure of a complex between β-glucopyranose and a macrocyclic receptor with dendritic multicharged water solubilizing chains.
• Authors of publication: Mandal, Pradeep K.; Kauffmann, Brice; Destecroix, Harry; Ferrand, Yann; Davis, Anthony P.; Huc, Ivan
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 60
• Pages of publication: 9355 - 9358
• a: 44.593 ± 0.009 Å
• b: 51.642 ± 0.01 Å
• c: 38.959 ± 0.008 Å
• α: 90°
• β: 107.1 ± 0.03°
• γ: 90°
• Cell volume: 85751 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.1832
• Residual factor for significantly intense reflections: 0.1428
• Weighted residual factors for significantly intense reflections: 0.4199
• Weighted residual factors for all reflections included in the refinement: 0.4574
• Goodness-of-fit parameter for all reflections included in the refinement: 1.801
• Diffraction radiation wavelength: 0.8726 Å
• Diffraction radiation type: synchrotronradiation
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No