Information card for entry 1551567

Structure parameters

• Chemical name: 1,2-bis[N,N’-6-(3-pyridylmethylamido)pyridyl-2-carboxyamido]ethane
• Formula: C28 H26 N8 O4
• Calculated formula: C28 H26 N8 O4
• SMILES: c1(cccc(C(=O)NCc2cnccc2)n1)C(=O)NCCNC(=O)c1cccc(C(=O)NCc2cnccc2)n1
• Title of publication: Crystal Structure of 1,2-Bis[<i>N,N</i>′-6-(3-pyridylmethylamido)pyridyl-2-carboxyamido]ethane
• Authors of publication: KADIR, Maisara Abdul; YUSOF, M. Sukeri M.; SUMBY, C. J.
• Journal of publication: X-ray Structure Analysis Online
• Year of publication: 2018
• Journal volume: 34
• Journal issue: 0
• Pages of publication: 31
• a: 13.669 ± 0.006 Å
• b: 17.763 ± 0.007 Å
• c: 11.013 ± 0.004 Å
• α: 90°
• β: 108.857 ± 0.016°
• γ: 90°
• Cell volume: 2530.5 ± 1.8 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0514
• Residual factor for significantly intense reflections: 0.0389
• Weighted residual factors for significantly intense reflections: 0.1245
• Weighted residual factors for all reflections included in the refinement: 0.1366
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No