Information card for entry 4500416

Structure parameters

• Formula: C26 H28 N2 O6
• Calculated formula: C26 H28 N2 O6
• SMILES: c1(cc(OC)c(c(c1)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: 4.371 ± 0.002 Å
• b: 13.193 ± 0.004 Å
• c: 20.695 ± 0.005 Å
• α: 90°
• β: 98.52 ± 0.03°
• γ: 90°
• Cell volume: 1180.2 ± 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: 0.1571
• Residual factor for significantly intense reflections: 0.0483
• Weighted residual factors for significantly intense reflections: 0.1213
• Weighted residual factors for all reflections included in the refinement: 0.1557
• Goodness-of-fit parameter for all reflections included in the refinement: 0.994
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No