Information card for entry 1520556

Structure parameters

• Common name: DEPN
• Chemical name: 1,8-bis[(E)-2-(4-pyridyl)ethenyl] naphthalene
• Formula: C24 H18 N2
• Calculated formula: C24 H18 N2
• SMILES: c12c(cccc2cccc1/C=C/c1ccncc1)/C=C/c1ccncc1
• 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: 9.4274 ± 0.0009 Å
• b: 12.3411 ± 0.0012 Å
• c: 15.5934 ± 0.0016 Å
• α: 83.302 ± 0.005°
• β: 82.714 ± 0.005°
• γ: 79.24 ± 0.005°
• Cell volume: 1759.9 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2015
• Residual factor for significantly intense reflections: 0.1283
• Weighted residual factors for significantly intense reflections: 0.3784
• Weighted residual factors for all reflections included in the refinement: 0.4149
• Goodness-of-fit parameter for all reflections included in the refinement: 1.105
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No