Information card for entry 2011266

Structure parameters

• Formula: C26 H20 N2 S2
• Calculated formula: C26 H20 N2 S2
• SMILES: S(c1c2ncccc2ccc1)Cc1ccccc1CSc1cccc2c1nccc2
• Title of publication: 1,2-Bis(8-quinolylthiomethyl)benzene
• Authors of publication: Sen, Liao; Su, Cheng-Yong; Zhang, Ze-Fu; Liu, Han-Qin; Zhu, Hai-Liang
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 8
• Pages of publication: e348 - e349
• a: 9.23 ± 0.008 Å
• b: 10.907 ± 0.006 Å
• c: 12.056 ± 0.012 Å
• α: 112.68 ± 0.06°
• β: 95.2 ± 0.07°
• γ: 106.05 ± 0.06°
• Cell volume: 1049.2 ± 1.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.082
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for all reflections included in the refinement: 0.111
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes