Information card for entry 7031252

Structure parameters

• Formula: C16 H20 N5
• Calculated formula: C16 H20 N5
• SMILES: N1(CCN(CCNCC1)c1ccncc1)c1ccncc1
• Title of publication: 4-Pyridyl-substituted azacycloalkanes with multiple donor sites prepared via a solvent-free, one-pot method for use in electrocatalysts.
• Authors of publication: Breedlove, B. K.; Kandel, R.; Ahsan, H. Md; Yamashita, M.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 21
• Pages of publication: 7683 - 7686
• a: 6.906 ± 0.004 Å
• b: 7.641 ± 0.004 Å
• c: 26.901 ± 0.014 Å
• α: 90°
• β: 89.517 ± 0.01°
• γ: 90°
• Cell volume: 1419.5 ± 1.3 ų
• Cell temperature: 293.1 K
• Ambient diffraction temperature: 293.1 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.05
• Weighted residual factors for all reflections included in the refinement: 0.1669
• Goodness-of-fit parameter for all reflections included in the refinement: 0.978
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No