Information card for entry 7203016

Structure parameters

• Common name: N,N,4-tris(pyridin-2-ylmethyl)aniline
• Chemical name: N,N,4-tris(pyridin-2-ylmethyl)aniline
• Formula: C24 H22 N4
• Calculated formula: C24 H22 N4
• SMILES: N(Cc1ncccc1)(c1ccc(cc1)Cc1ncccc1)Cc1ncccc1
• Title of publication: Coordination chemistry of N,N,4-tris(pyridin-2-ylmethyl)aniline: a novel flexible, multimodal ligand
• Authors of publication: Almesåker, Ann; Bourne, Susan A.; Ramon, Gaëlle; Scott, Janet L.; Strauss, Christopher R.
• Journal of publication: CrystEngComm
• Year of publication: 2007
• Journal volume: 9
• Journal issue: 11
• Pages of publication: 997
• a: 9.4861 ± 0.0019 Å
• b: 6.0392 ± 0.0012 Å
• c: 32.99 ± 0.007 Å
• α: 90°
• β: 95.82 ± 0.03°
• γ: 90°
• Cell volume: 1880.2 ± 0.7 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0653
• Residual factor for significantly intense reflections: 0.0535
• Weighted residual factors for significantly intense reflections: 0.1125
• Weighted residual factors for all reflections included in the refinement: 0.1187
• Goodness-of-fit parameter for all reflections included in the refinement: 1.104
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No