Information card for entry 1515719

Structure parameters

• Formula: C13 H7 Cl F5 N
• Calculated formula: C13 H7 Cl F5 N
• SMILES: [Cl-].Fc1c(/C=C/c2cc[nH+]cc2)c(F)c(F)c(F)c1F
• Title of publication: Photodimerization of HCl salts of azastilbenes in the solid state.
• Authors of publication: Mondal, Barnali; Captain, Burjor; Ramamurthy, V.
• Journal of publication: Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology
• Year of publication: 2011
• Journal volume: 10
• Journal issue: 6
• Pages of publication: 891 - 894
• a: 8.3749 ± 0.0005 Å
• b: 8.3985 ± 0.0005 Å
• c: 10.2024 ± 0.0007 Å
• α: 66.606 ± 0.0008°
• β: 71.9947 ± 0.0009°
• γ: 84.0524 ± 0.0009°
• Cell volume: 626.21 ± 0.07 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 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 all reflections: 0.0628
• Residual factor for significantly intense reflections: 0.0565
• Weighted residual factors for significantly intense reflections: 0.1532
• Weighted residual factors for all reflections included in the refinement: 0.1575
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No