Information card for entry 1520139

Structure parameters

• Formula: C34 H38 N4 O2
• Calculated formula: C34 H38 N4 O2
• SMILES: O=C(NCCNC(=O)[C@@H](NCc1ccccc1)Cc1ccccc1)[C@@H](NCc1ccccc1)Cc1ccccc1
• Title of publication: Copper(ii) complexes of macrocyclic and open-chain pseudopeptidic ligands: synthesis, characterization and interaction with dicarboxylates.
• Authors of publication: Faggi, Enrico; Gavara, Raquel; Bolte, Michael; Fajarí, Lluís; Juliá, Luís; Rodríguez, Laura; Alfonso, Ignacio
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 28
• Pages of publication: 12700 - 12710
• a: 9.631 ± 0.003 Å
• b: 10.027 ± 0.003 Å
• c: 15.551 ± 0.004 Å
• α: 86.83 ± 0.02°
• β: 87.67 ± 0.02°
• γ: 78.27 ± 0.02°
• Cell volume: 1467.5 ± 0.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.2342
• Residual factor for significantly intense reflections: 0.1479
• Weighted residual factors for significantly intense reflections: 0.3701
• Weighted residual factors for all reflections included in the refinement: 0.4177
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No