Information card for entry 7206829

Structure parameters

• Formula: C16 H26 N4 O2
• Calculated formula: C16 H26 N4 O2
• SMILES: N[C@H](C(=O)Nc1ccc(cc1)NC(=O)[C@@H](N)C(C)C)C(C)C
• Title of publication: Zinc(ii) coordination polymers with pseudopeptidic ligands
• Authors of publication: Martí-Centelles, Vicente; Kumar, D. Krishna; White, Andrew J. P.; Luis, Santiago V.; Vilar, Ramon
• Journal of publication: CrystEngComm
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 23
• Pages of publication: 6997
• a: 5.22808 ± 0.00005 Å
• b: 9.49693 ± 0.00009 Å
• c: 16.70757 ± 0.00016 Å
• α: 90°
• β: 95.6549 ± 0.0009°
• γ: 90°
• Cell volume: 825.506 ± 0.014 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0286
• Residual factor for significantly intense reflections: 0.0271
• Weighted residual factors for significantly intense reflections: 0.0705
• Weighted residual factors for all reflections included in the refinement: 0.0717
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No