Information card for entry 1515718

Structure parameters

• Formula: C13 H10 Cl3 N
• Calculated formula: C13 H10 Cl3 N
• SMILES: Clc1cc(/C=C/c2cc[nH+]cc2)cc(Cl)c1.[Cl-]
• 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: 4.9487 ± 0.0003 Å
• b: 7.8558 ± 0.0004 Å
• c: 16.9993 ± 0.0009 Å
• α: 96.3056 ± 0.0008°
• β: 91.9793 ± 0.0008°
• γ: 93.8669 ± 0.0008°
• Cell volume: 654.78 ± 0.06 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0635
• Residual factor for significantly intense reflections: 0.0593
• Weighted residual factors for significantly intense reflections: 0.1463
• Weighted residual factors for all reflections included in the refinement: 0.1497
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No