Information card for entry 7111934

Structure parameters

• Formula: C26 H18 O4 S2
• Calculated formula: C26 H18 O4 S2
• SMILES: c12ccccc1c(c1cc(sc1C)C(=O)O)c(c1c2cccc1)c1cc(sc1C)C(=O)O
• Title of publication: Photoresponsive porous materials: the design and synthesis of photochromic diarylethene-based linkers and a metal-organic framework
• Authors of publication: Dinesh G. (Dan) Patel; Ian M. Walton; Jordan M. Cox; Cody J. Gleason; David R. Butzer; Jason B. Benedict
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 2653
• a: 7.3757 ± 0.0003 Å
• b: 11.0027 ± 0.0005 Å
• c: 17.9502 ± 0.0008 Å
• α: 90°
• β: 96.2569 ± 0.0014°
• γ: 90°
• Cell volume: 1448.03 ± 0.11 ų
• Cell temperature: 90 K
• Ambient diffraction temperature: 90 K
• Number of distinct elements: 4
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.053
• Residual factor for significantly intense reflections: 0.0423
• Weighted residual factors for significantly intense reflections: 0.1136
• Weighted residual factors for all reflections included in the refinement: 0.1189
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No