Information card for entry 4500417

Structure parameters

• Formula: C26 H28 N2 O6
• Calculated formula: C26 H28 N2 O6
• SMILES: c1(cc(c(c(c1)OC)OC)OC)/C=C/c1ncc(/C=C/c2cc(c(c(c2)OC)OC)OC)nc1
• Title of publication: Competition between Methoxy-Based and Pyrazine-Based Synthons in Methoxy-Substituted Distyrylpyrazines
• Authors of publication: Collas, Alain; Bagrowska, Izabela; Aleksandrzak, Krzysztof; Zeller, Matthias; Blockhuys, Frank
• Journal of publication: Crystal Growth & Design
• Year of publication: 2011
• Journal volume: 11
• Journal issue: 4
• Pages of publication: 1299
• a: 8.04 ± 0.002 Å
• b: 10.806 ± 0.004 Å
• c: 15.268 ± 0.005 Å
• α: 90°
• β: 117.533 ± 0.019°
• γ: 90°
• Cell volume: 1176.3 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.2265
• Residual factor for significantly intense reflections: 0.0736
• Weighted residual factors for significantly intense reflections: 0.1847
• Weighted residual factors for all reflections included in the refinement: 0.2494
• Goodness-of-fit parameter for all reflections included in the refinement: 0.933
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No