Information card for entry 2015893

Structure parameters

• Chemical name: 2,3,5,6-tetrakis(phenoxymethyl)pyrazine
• Formula: C32 H28 N2 O4
• Calculated formula: C32 H28 N2 O4
• SMILES: c1ccc(cc1)OCc1nc(COc2ccccc2)c(nc1COc1ccccc1)COc1ccccc1
• Title of publication: 2,3,5,6-Tetrakis(phenoxymethyl)pyrazine and 2,3,5,6-tetrakis(phenylsulfanylmethyl)pyrazine
• Authors of publication: Tokouré Assoumatine; Gilles Gasser; Helen Stoeckli-Evans
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 4
• Pages of publication: o219 - o222
• a: 12.4717 ± 0.0015 Å
• b: 5.0859 ± 0.0006 Å
• c: 21.0412 ± 0.0019 Å
• α: 90°
• β: 105.243 ± 0.011°
• γ: 90°
• Cell volume: 1287.7 ± 0.3 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1268
• Residual factor for significantly intense reflections: 0.0621
• Weighted residual factors for significantly intense reflections: 0.1223
• Weighted residual factors for all reflections included in the refinement: 0.1503
• Goodness-of-fit parameter for all reflections included in the refinement: 1.102
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes