Information card for entry 7249197

Structure parameters

• Formula: C28 H20 O2 S2
• Calculated formula: C28 H20 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: 4.8146 ± 0.0004 Å
• b: 20.525 ± 0.002 Å
• c: 21.556 ± 0.003 Å
• α: 90°
• β: 90.453 ± 0.005°
• γ: 90°
• Cell volume: 2130.1 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• 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: 0.075
• Residual factor for significantly intense reflections: 0.0425
• Weighted residual factors for significantly intense reflections: 0.0954
• Weighted residual factors for all reflections included in the refinement: 0.1081
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No