Information card for entry 4132603

Structure parameters

• Formula: C38 H38 N2 O6
• Calculated formula: C38 H38 N2 O6
• SMILES: c1ccc2c(C3(c4ccccc4C2C2(c4c(C3c3ccccc23)cccc4)C(=O)O)C(=O)O)c1.C(=O)(C)N(C)C.C(=O)(C)N(C)C
• 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: 10.6198 ± 0.0003 Å
• b: 12.0108 ± 0.0003 Å
• c: 12.5761 ± 0.0003 Å
• α: 90°
• β: 96.716 ± 0.002°
• γ: 90°
• Cell volume: 1593.1 ± 0.07 ų
• Cell temperature: 180.01 ± 0.1 K
• Ambient diffraction temperature: 180.01 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0507
• Residual factor for significantly intense reflections: 0.0404
• Weighted residual factors for significantly intense reflections: 0.1004
• Weighted residual factors for all reflections included in the refinement: 0.1082
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No