Information card for entry 7112719

Structure parameters

• Formula: C34 H26 N2
• Calculated formula: C45.3333 H34.6667 N2.66667
• SMILES: n1ccc(C2C(C(C2c2ccc3ccccc3c2)c2ccncc2)c2ccc3ccccc3c2)cc1
• Title of publication: Water-assisted assembly of (E)-arylvinylpyridine hydrochlorides: effective substrates for solid-state [2+2] photodimerization.
• Authors of publication: Yamada, Shinji; Nojiri, Yuka
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2011
• Journal volume: 47
• Journal issue: 32
• Pages of publication: 9143 - 9145
• a: 22.5434 ± 0.0004 Å
• b: 8.91677 ± 0.0001 Å
• c: 49.7495 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 10000.4 ± 0.3 ų
• Cell temperature: 298.1 K
• Number of distinct elements: 3
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for significantly intense reflections: 0.0648
• Weighted residual factors for all reflections included in the refinement: 0.2166
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No