Information card for entry 4111813

Structure parameters

• Formula: C30 H36 O2 S2
• Calculated formula: C30 H36 O2 S2
• SMILES: s1c(c2cc(c3c2ccccc3)c2sccc2OCCCCCC)c(OCCCCCC)cc1
• 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: 8.759 ± 0.0012 Å
• b: 15.009 ± 0.002 Å
• c: 42.798 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5626.4 ± 1.3 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 4
• Space group number: 56
• Hermann-Mauguin space group symbol: P n a a
• Hall space group symbol: -P 2ac 2bc
• Residual factor for all reflections: 0.1008
• Residual factor for significantly intense reflections: 0.0836
• Weighted residual factors for significantly intense reflections: 0.1995
• Weighted residual factors for all reflections included in the refinement: 0.2071
• Goodness-of-fit parameter for all reflections included in the refinement: 1.129
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No