Information card for entry 7249199

Structure parameters

• Formula: C34 H32 O5 S2
• Calculated formula: C34 H32 O5 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: 8.7673 ± 0.0007 Å
• b: 6.2302 ± 0.0004 Å
• c: 25.9473 ± 0.0019 Å
• α: 90°
• β: 93.533 ± 0.003°
• γ: 90°
• Cell volume: 1414.6 ± 0.18 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0333
• Residual factor for significantly intense reflections: 0.0312
• Weighted residual factors for significantly intense reflections: 0.0858
• Weighted residual factors for all reflections included in the refinement: 0.0871
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No