Information card for entry 4113792

Structure parameters

• Formula: C44 H68 N16 O14
• Calculated formula: C44 H68 N16 O14
• SMILES: O=c1nc([nH]c(C)c1)NC(=O)N[C@H](C)CCC[C@H](NC(=O)Nc1nc(=O)cc([nH]1)C)C.O=c1nc([nH]c(C)c1)NC(=O)N[C@@H](C)CCC[C@@H](NC(=O)Nc1nc(=O)cc([nH]1)C)C.O=C(O)C.O=C(O)C.O=C(O)C
• Title of publication: Enantioselective Cyclization of Racemic Supramolecular Polymers
• Authors of publication: A. Tessa ten Cate; Patricia Y. W. Dankers; Huub Kooijman; Anthony L. Spek; Rint P. Sijbesma; E. W. Meijer
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2003
• Journal volume: 125
• Pages of publication: 6860 - 6861
• a: 10.8659 ± 0.001 Å
• b: 14.784 ± 0.002 Å
• c: 16.87 ± 0.003 Å
• α: 82.746 ± 0.012°
• β: 82.149 ± 0.01°
• γ: 75.847 ± 0.012°
• Cell volume: 2590.9 ± 0.6 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1068
• Residual factor for significantly intense reflections: 0.0501
• Weighted residual factors for significantly intense reflections: 0.1146
• Weighted residual factors for all reflections included in the refinement: 0.1333
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No