Information card for entry 7112720

Structure parameters

• Formula: C17 H20 Cl N O3
• Calculated formula: C17 H14 Cl N O3
• SMILES: [Cl-].O.O.O.[nH+]1ccc(/C=C/c2cc3c(cc2)cccc3)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: 7.0419 ± 0.0007 Å
• b: 11.0864 ± 0.0011 Å
• c: 12.0768 ± 0.0012 Å
• α: 64.825 ± 0.003°
• β: 81.258 ± 0.003°
• γ: 81.852 ± 0.003°
• Cell volume: 840.22 ± 0.15 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0944
• Weighted residual factors for all reflections included in the refinement: 0.2563
• Goodness-of-fit parameter for all reflections included in the refinement: 0.725
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No