Information card for entry 4500414

Structure parameters

• Formula: C24 H24 N2 O4
• Calculated formula: C24 H24 N2 O4
• SMILES: c1(cc(c(cc1)OC)OC)/C=C/c1ncc(/C=C/c2cc(c(cc2)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: 13.0095 ± 0.001 Å
• b: 7.0463 ± 0.0006 Å
• c: 12.2219 ± 0.0009 Å
• α: 90°
• β: 115.814 ± 0.001°
• γ: 90°
• Cell volume: 1008.57 ± 0.14 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: 0.0569
• Residual factor for significantly intense reflections: 0.0421
• Weighted residual factors for significantly intense reflections: 0.1134
• Weighted residual factors for all reflections included in the refinement: 0.126
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No