Information card for entry 2240234

Structure parameters

• Common name: Tetrakis(pyridin-2-yl)methane
• Chemical name: Tetrakis(pyridin-2-yl)methane
• Formula: C21 H16 N4
• Calculated formula: C21 H16 N4
• SMILES: C(c1ncccc1)(c1ccccn1)(c1ccccn1)c1ccccn1
• Title of publication: Crystal structure of a second polymorph of tetrakis(pyridin-2-yl)methane
• Authors of publication: Matsumoto, Kouzou; Kannami, Masaki; Fuyuhiro, Akira; Oda, Masaji
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 12
• Pages of publication: o1277 - o1278
• a: 10.6 ± 0.01 Å
• b: 10.6 ± 0.01 Å
• c: 7.03 ± 0.01 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 789.9 ± 1.5 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 3
• Space group number: 114
• Hermann-Mauguin space group symbol: P -4 21 c
• Hall space group symbol: P -4 2n
• Residual factor for all reflections: 0.037
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for significantly intense reflections: 0.089
• Weighted residual factors for all reflections included in the refinement: 0.09
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes