Information card for entry 2241108

Structure parameters

• Common name: Tetrakis(pyridin-2-yl)methane tetra<i>N</i>-oxide methanol tetrasolvate
• Chemical name: Tetrakis(1-oxidopyridin-2-yl)methane methanol tetrasolvate
• Formula: C25 H32 N4 O8
• Calculated formula: C25 H32 N4 O8
• SMILES: C(c1ccccn1=O)(c1ccccn1=O)(c1ccccn1=O)c1ccccn1=O.CO.CO.CO.CO
• Title of publication: Crystal structure of tetrakis(1-oxidopyridin-2-yl)methane methanol tetrasolvate
• Authors of publication: Matsumoto, Kouzou; Kawashita, Kazuaki; Kannami, Masaki; Oda, Masaji
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 10
• Pages of publication: o754 - o755
• a: 14.4474 ± 0.0004 Å
• b: 14.4474 ± 0.0004 Å
• c: 12.2965 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2566.62 ± 0.14 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 4
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.053
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for significantly intense reflections: 0.134
• Weighted residual factors for all reflections included in the refinement: 0.138
• 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