Information card for entry 1520557

Structure parameters

• Common name: Ag tosylate DEPN
• Chemical name: Silver p-toluenesulfonate 1,8-bis[(E)-2-(4-pyridyl)ethenyl] naphthalene
• Formula: C62 H50 Ag2 N4 O6 S2
• Calculated formula: C62 H50 Ag2 N4 O6 S2
• SMILES: [Ag]123[O]([Ag]([O]1S(=O)(=O)c1ccc(cc1)C)([n]1ccc(cc1)/C=C/c1cccc4c1c(/C=C/c1cc[n]3cc1)ccc4)[n]1ccc(cc1)/C=C/c1c3c(/C=C/c4cc[n]2cc4)cccc3ccc1)S(=O)(=O)c1ccc(cc1)C
• Title of publication: Intramolecular [2 + 2] Photodimerization Achieved in the Solid State via Coordination-Driven Self-Assembly.
• Authors of publication: Laird, Rebecca C.; Sinnwell, Michael A.; Nguyen, Nam P.; Swenson, Dale C.; Mariappan, S. V. Santhana; MacGillivray, Leonard R.
• Journal of publication: Organic letters
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 13
• Pages of publication: 3233 - 3235
• a: 14.33 ± 0.0015 Å
• b: 10.8862 ± 0.0011 Å
• c: 17.8919 ± 0.0018 Å
• α: 90°
• β: 110.048 ± 0.005°
• γ: 90°
• Cell volume: 2622 ± 0.5 ų
• Cell temperature: 190 K
• Ambient diffraction temperature: 190 K
• Number of distinct elements: 6
• 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: 0.0803
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for significantly intense reflections: 0.0898
• Weighted residual factors for all reflections included in the refinement: 0.1085
• Goodness-of-fit parameter for all reflections included in the refinement: 0.93
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No