Information card for entry 7207504

Structure parameters

• Formula: C28 H20 N2 O2 S3
• Calculated formula: C28 H20 N2 O2 S3
• SMILES: c1(ccncc1)c1cc(c(C)s1)C1=C(c2cc(c3ccncc3)sc2C)S(=O)(=O)c2c1cccc2
• Title of publication: Multi-addressable photochromic terarylene containing benzo[b]thiophene-1,1-dioxide unit as ethene bridge: multifunctional molecular logic gates on unimolecular platform
• Authors of publication: Chen, Shangjun; Yang, Yuheng; Wu, Yue; Tian, He; Zhu, Weihong
• Journal of publication: Journal of Materials Chemistry
• Year of publication: 2012
• Journal volume: 22
• Journal issue: 12
• Pages of publication: 5486
• a: 11.241 ± 0.005 Å
• b: 20.08 ± 0.008 Å
• c: 10.684 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2411.6 ± 1.8 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.037
• Residual factor for significantly intense reflections: 0.0315
• Weighted residual factors for significantly intense reflections: 0.077
• Weighted residual factors for all reflections included in the refinement: 0.0811
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No