Information card for entry 7204648

Structure parameters

• Chemical name: 2,5-bis(2-methoxyphenyl)-3,6-dimethylpyrazinium bis(tetrafluoroborate) salt
• Formula: C20 H22 B2 F8 N2 O2
• Calculated formula: C20 H22 B2 F8 N2 O2
• Title of publication: Phenylene‒2,5-dimethylpyrazine co-oligomers: synthesis by Suzuki couplings, X-ray structures of neutral and diprotonated teraryl species and efficient blue emission
• Authors of publication: Figen Türksoy; Gregory Hughes; Andrei S. Batsanov; Martin R. Bryce
• Journal of publication: J. Mater. Chem.
• Year of publication: 2003
• Journal volume: 13
• Journal issue: 7
• Pages of publication: 1554 - 1557
• a: 6.863 ± 0.001 Å
• b: 8.088 ± 0.001 Å
• c: 10.548 ± 0.002 Å
• α: 67.82 ± 0.01°
• β: 80.11 ± 0.01°
• γ: 80.11 ± 0.01°
• Cell volume: 530.43 ± 0.15 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0937
• Residual factor for significantly intense reflections: 0.0563
• Weighted residual factors for significantly intense reflections: 0.1068
• Weighted residual factors for all reflections included in the refinement: 0.1222
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No