Information card for entry 7052137

Structure parameters

• Formula: C54 H58 Br2 N2 O4
• Calculated formula: C54 H58 Br2 N2 O4
• Title of publication: Ionic core‒shell dendrimers with a polycationic core: structural aspects and host‒guest binding properties
• Authors of publication: van de Coevering, Rob; Bruijnincx, Pieter C. A.; Lutz, Martin; Spek, Anthony L.; van Koten, Gerard; Klein Gebbink, Robertus J. M.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2007
• Journal volume: 31
• Journal issue: 7
• Pages of publication: 1337
• a: 37.1517 ± 0.0005 Å
• b: 37.1517 ± 0.0005 Å
• c: 19.4231 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 23217 ± 0.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0758
• Residual factor for significantly intense reflections: 0.0586
• Weighted residual factors for significantly intense reflections: 0.1749
• Weighted residual factors for all reflections included in the refinement: 0.1881
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No