Information card for entry 7249200

Structure parameters

• Formula: C30 H18 F6 O2 S2
• Calculated formula: C30 H18 F6 O2 S2
• Title of publication: Bent naphthodithiophenes: synthesis and characterization of isomeric fluorophores
• Authors of publication: Adusei, Emmanuel B. A.; Casetti, Vincent T.; Goldsmith, Calvin D.; Caswell, Madison; Alinj, Drecila; Park, Jimin; Zeller, Matthias; Rusakov, Alexander A.; Kinney, Zacharias J.
• Journal of publication: RSC Advances
• Year of publication: 2024
• Journal volume: 14
• Journal issue: 35
• Pages of publication: 25120 - 25129
• a: 17.861 ± 0.005 Å
• b: 8.2438 ± 0.0016 Å
• c: 18.565 ± 0.004 Å
• α: 90°
• β: 111.359 ± 0.007°
• γ: 90°
• Cell volume: 2545.8 ± 1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• 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: 0.1142
• Residual factor for significantly intense reflections: 0.0531
• Weighted residual factors for significantly intense reflections: 0.1137
• Weighted residual factors for all reflections included in the refinement: 0.14
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No