Information card for entry 4116818

Structure parameters

• Formula: C46 H88 Cl4 N10 O12
• Calculated formula: C46 H88 Cl4 N10 O12
• SMILES: C(N(CCCNC(=O)CNC(=O)OC(C)(C)C)CCCNC(=O)CNC(=O)OC(C)(C)C)CCCN(CCCNC(=O)CNC(=O)OC(C)(C)C)CCCNC(=O)CNC(=O)OC(C)(C)C.C(Cl)Cl.C(Cl)Cl
• Title of publication: Concerning the Localization of End Groups in Dendrimers
• Authors of publication: Anton W. Bosman; Monique J. Bruining; Huub Kooijman; Anthony L. Spek; René A. J. Janssen; E. W. Meijer
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 1998
• Journal volume: 120
• Pages of publication: 8547 - 8548
• a: 22.942 ± 0.004 Å
• b: 24.674 ± 0.011 Å
• c: 10.775 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6099 ± 4 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• Space group number: 41
• Hermann-Mauguin space group symbol: A b a 2
• Hall space group symbol: A 2 -2ab
• Residual factor for all reflections: 0.0681
• Residual factor for significantly intense reflections: 0.0546
• Weighted residual factors for significantly intense reflections: 0.1294
• Weighted residual factors for all reflections included in the refinement: 0.1384
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No