Information card for entry 2215653

Structure parameters

• Chemical name: 2,2'-[Anthracene-9,10-diyldi(methylenethio)]dianiline
• Formula: C28 H24 N2 S2
• Calculated formula: C28 H24 N2 S2
• SMILES: Nc1ccccc1SCc1c2ccccc2c(c2c1cccc2)CSc1ccccc1N
• Title of publication: 2,2'-[Anthracene-9,10-diyldi(methylenethio)]dianiline
• Authors of publication: Zhi-Gang Niu; Wei Zhong; Yi-Zhen Wang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 10
• Pages of publication: o4164 - o4164
• a: 9.067 ± 0.0008 Å
• b: 17.4159 ± 0.0016 Å
• c: 7.12 ± 0.0006 Å
• α: 90°
• β: 101.62 ± 0.001°
• γ: 90°
• Cell volume: 1101.28 ± 0.17 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 4
• 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: 0.0684
• Residual factor for significantly intense reflections: 0.0435
• Weighted residual factors for significantly intense reflections: 0.1315
• Weighted residual factors for all reflections included in the refinement: 0.1417
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes