Information card for entry 1567281

Structure parameters

• Formula: C35 H25 N3 O S2
• Calculated formula: C35 H25 N3 O S2
• Title of publication: Hot-exciton harvesting via through-space single-molecule based white-light emission and optical waveguides
• Authors of publication: Barman, Debasish; Annadhasan, Mari; Chandrasekar, Rajadurai; Iyer, Parameswar Krishnan
• Journal of publication: Chemical Science
• Year of publication: 2022
• a: 5.737 ± 0.005 Å
• b: 19.159 ± 0.018 Å
• c: 24.68 ± 0.02 Å
• α: 90°
• β: 96.66 ± 0.03°
• γ: 90°
• Cell volume: 2694 ± 4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• 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: 0.2167
• Residual factor for significantly intense reflections: 0.085
• Weighted residual factors for significantly intense reflections: 0.1507
• Weighted residual factors for all reflections included in the refinement: 0.2065
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No