Information card for entry 7063461

Structure parameters

• Formula: C42 H58 O6
• Calculated formula: C42 H58 O6
• Title of publication: A family of dioxyarylene linked di-o-quinones. Structural dependence on the topology of linker: comparative study.
• Authors of publication: Cherkasova, Anna V.; Martyanov, Konstantin A.; Rychagova, Elena A.; Kozhanov, Konstantin; Cherkasov, Anton Vladimirovich; Kuropatov, Viacheslav
• Journal of publication: New Journal of Chemistry
• Year of publication: 2024
• a: 11.3903 ± 0.0004 Å
• b: 15.3731 ± 0.0005 Å
• c: 24.4921 ± 0.0009 Å
• α: 90°
• β: 90.899 ± 0.003°
• γ: 90°
• Cell volume: 4288.1 ± 0.3 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1206
• Residual factor for significantly intense reflections: 0.0547
• Weighted residual factors for significantly intense reflections: 0.1089
• Weighted residual factors for all reflections included in the refinement: 0.116
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No