Information card for entry 7063463

Structure parameters

• Formula: C38 H44 O6
• Calculated formula: C38 H44 O6
• Title of publication: A family of dioxyarylene linked di-o-quinones. Structural dependence on the topology of the linker: a comparative study
• Authors of publication: Cherkasova, Anna V.; Martyanov, Konstantin A.; Rychagova, Elena A.; Kozhanov, Konstantin A.; Cherkasov, Anton V.; Kuropatov, Viacheslav A.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2024
• Journal volume: 48
• Journal issue: 42
• Pages of publication: 18075 - 18087
• a: 11.8467 ± 0.001 Å
• b: 25.0666 ± 0.0013 Å
• c: 12.2051 ± 0.0009 Å
• α: 90°
• β: 113.534 ± 0.009°
• γ: 90°
• Cell volume: 3322.9 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• 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: 0.1126
• Residual factor for significantly intense reflections: 0.0759
• Weighted residual factors for significantly intense reflections: 0.1687
• Weighted residual factors for all reflections included in the refinement: 0.1884
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No