Information card for entry 4023257

Structure parameters

• Formula: C24 H48 N12 O6
• Calculated formula: C24 H48 N12 O6
• SMILES: C1(=O)NN(CC(C)C)CC(=O)NNCC(=O)NN(CC(C)C)CC(=O)NNCC(=O)NN(CC(=O)NNC1)CC(C)C
• Title of publication: Postsynthetic Modification of C~3~-Symmetric Aza-β^3^-Cyclohexapeptides
• Authors of publication: Philippe Le Grel; Arnaud Salaün; Clémence Mocquet; Barbara Le Grel; Thierry Roisnel; Michel Potel
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2008
• Journal volume: 73
• Pages of publication: 1306 - 1310
• a: 13.6249 ± 0.0007 Å
• b: 13.6249 ± 0.0007 Å
• c: 11.3765 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1829 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 147
• Hermann-Mauguin space group symbol: P -3
• Hall space group symbol: -P 3
• Residual factor for all reflections: 0.1417
• Residual factor for significantly intense reflections: 0.0754
• Weighted residual factors for significantly intense reflections: 0.171
• Weighted residual factors for all reflections included in the refinement: 0.1977
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No