Information card for entry 4111814

Structure parameters

• Formula: C18 H12 S2
• Calculated formula: C18 H12 S2
• SMILES: s1c(c2cc(c3cccccc23)c2sccc2)ccc1
• Title of publication: Aggregation-Driven Growth of Size-Tunable Organic Nanoparticles Using Electronically Altered Conjugated Polymers
• Authors of publication: Fuke Wang; Ming-Yong Han; Khine Yi Mya; Yubo Wang; Yee-Hing Lai
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2005
• Journal volume: 127
• Pages of publication: 10350 - 10355
• a: 17.3267 ± 0.0013 Å
• b: 7.2617 ± 0.0005 Å
• c: 21.9512 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2761.9 ± 0.3 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 3
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0777
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for significantly intense reflections: 0.101
• Weighted residual factors for all reflections included in the refinement: 0.1103
• Goodness-of-fit parameter for all reflections included in the refinement: 0.905
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No