Information card for entry 4132601

Structure parameters

• Formula: C34 H32 O6 S2
• Calculated formula: C34 H32 O6 S2
• SMILES: C(=O)(O)C12c3c(C(c4c1cccc4)C1(C(=O)O)c4c(C2c2c1cccc2)cccc4)cccc3.CS(C)=O.CS(C)=O
• Title of publication: On-Demand Degradation of Metal-Organic Framework Based on Photocleavable Dianthracene-Based Ligand.
• Authors of publication: Collet, Guillaume; Lathion, Timothée; Besnard, Céline; Piguet, Claude; Petoud, Stéphane
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2018
• Journal volume: 140
• Journal issue: 34
• Pages of publication: 10820 - 10828
• a: 10.4209 ± 0.0003 Å
• b: 7.9301 ± 0.0002 Å
• c: 18.7758 ± 0.0005 Å
• α: 90°
• β: 104.06 ± 0.003°
• γ: 90°
• Cell volume: 1505.13 ± 0.07 ų
• Cell temperature: 180 ± 0.1 K
• Ambient diffraction temperature: 180 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.05
• Residual factor for significantly intense reflections: 0.0486
• Weighted residual factors for significantly intense reflections: 0.1298
• Weighted residual factors for all reflections included in the refinement: 0.1311
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No