Information card for entry 7226567

Structure parameters

• Formula: C24 H30 N6 O6
• Calculated formula: C24 H30 N6 O6
• SMILES: N1C(=O)[C@@H]2CCCN2C(=O)c2cncc(c2)NC(=O)[C@@H]2CCCN2C(=O)c2cncc1c2.OC.OC
• Title of publication: Molecular tectonics: homochiral coordination polymers based on pyridyl-substituted cyclic tetrapeptides
• Authors of publication: Ganß, Alexander; Xu, Chaojie; Guenet, Aurélie; Kelm, Harald; Kyritsakas, Nathalie; Planeix, Jean-Marc; Kubik, Stefan; Hosseini, Mir Wais
• Journal of publication: CrystEngComm
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 40
• Pages of publication: 7685
• a: 8.1558 ± 0.0002 Å
• b: 12.8129 ± 0.0003 Å
• c: 22.6191 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2363.68 ± 0.09 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0399
• Residual factor for significantly intense reflections: 0.0395
• Weighted residual factors for significantly intense reflections: 0.1051
• Weighted residual factors for all reflections included in the refinement: 0.1055
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No