Information card for entry 7031253

Structure parameters

• Formula: C21 H24 N6 O
• Calculated formula: C21 H26 N6 O
• SMILES: N1(CCN(CCN(CC1)c1ccncc1)c1ccncc1)c1ccncc1.O
• 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: 10.277 ± 0.005 Å
• b: 14.718 ± 0.005 Å
• c: 25.634 ± 0.005 Å
• α: 90 ± 0.005°
• β: 90 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 3877 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0337
• Residual factor for significantly intense reflections: 0.0264
• Weighted residual factors for significantly intense reflections: 0.0648
• Weighted residual factors for all reflections included in the refinement: 0.0694
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No