Information card for entry 1517860

Structure parameters

• Formula: C23 H16 Cl2 N2 O S2
• Calculated formula: C23 H16 Cl2 N2 O S2
• SMILES: c1(c(ccc2c1cccc2)O)c1nc(c(c2cc(Cl)sc2C)[nH]1)c1cc(Cl)sc1C
• Title of publication: Chemical control of photochromism and a multiresponsive molecular switch based on a diarylethene derivative containing naphthol.
• Authors of publication: Liu, Wenju; Li, Ziyong; Hu, Fang; Yin, Jun; Yu, Guang-Ao; Liu, Sheng Hua
• Journal of publication: Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology
• Year of publication: 2014
• Journal volume: 13
• Journal issue: 12
• Pages of publication: 1773 - 1780
• a: 7.366 ± 0.004 Å
• b: 8.121 ± 0.004 Å
• c: 36.109 ± 0.017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2160 ± 1.9 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• 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: 0.0999
• Residual factor for significantly intense reflections: 0.0721
• Weighted residual factors for significantly intense reflections: 0.1689
• Weighted residual factors for all reflections included in the refinement: 0.1774
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No