Information card for entry 4500418

Structure parameters

• Formula: C26 H28 N2 O6
• Calculated formula: C26 H28 N2 O6
• SMILES: c1(c(cc(cc1OC)OC)OC)/C=C/c1ncc(/C=C/c2c(cc(cc2OC)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: 4.389 ± 0.004 Å
• b: 15.488 ± 0.001 Å
• c: 17.215 ± 0.004 Å
• α: 90°
• β: 103.9 ± 0.03°
• γ: 90°
• Cell volume: 1136 ± 1.1 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: 0.0748
• Residual factor for significantly intense reflections: 0.0343
• Weighted residual factors for significantly intense reflections: 0.0841
• Weighted residual factors for all reflections included in the refinement: 0.1008
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No