Information card for entry 7222377

Structure parameters

• Formula: C30 H22 O2 S3
• Calculated formula: C30 H22 O2 S3
• SMILES: S1(=O)(=O)c2c(cccc2)C(=C1c1cc(sc1C)c1ccccc1)c1c(sc(c1)c1ccccc1)C
• Title of publication: Substitution effect on photochromic properties of benzo[b]thiophene-1,1-dioxide based diarylethenes
• Authors of publication: Chen, Shangjun; Li, Wenlong; Li, Xin; Zhu, Weihong
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 9.973 ± 0.004 Å
• b: 12.164 ± 0.004 Å
• c: 21.09 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2558.5 ± 1.6 ų
• Cell temperature: 573 ± 2 K
• Ambient diffraction temperature: 573 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0716
• Residual factor for significantly intense reflections: 0.0419
• Weighted residual factors for significantly intense reflections: 0.0795
• Weighted residual factors for all reflections included in the refinement: 0.0906
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No