Information card for entry 2022711

Structure parameters

• Formula: C44 H26 F6
• Calculated formula: C44 H26 F6
• Title of publication: Two new cases of polymorphism in diagonally substituted rubrene derivatives.
• Authors of publication: Clapham, Margaret L.; Douglas, Christopher J.
• Journal of publication: Acta crystallographica. Section E, Crystallographic communications
• Year of publication: 2023
• Journal volume: 79
• Journal issue: Pt 4
• Pages of publication: 406 - 409
• a: 15.9782 ± 0.0006 Å
• b: 7.2762 ± 0.0002 Å
• c: 13.9814 ± 0.0006 Å
• α: 90°
• β: 102.701 ± 0.002°
• γ: 90°
• Cell volume: 1585.71 ± 0.1 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 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: 0.0763
• Residual factor for significantly intense reflections: 0.0659
• Weighted residual factors for significantly intense reflections: 0.1299
• Weighted residual factors for all reflections included in the refinement: 0.1354
• Goodness-of-fit parameter for all reflections included in the refinement: 1.108
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No