Information card for entry 1515725

Structure parameters

• Formula: C13 H15 Br Cl N O2
• Calculated formula: C13 H15 Br Cl N O2
• SMILES: Brc1ccc(/C=C/c2cc[nH+]cc2)cc1.[Cl-].O.O
• 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: 8.0476 ± 0.0005 Å
• b: 9.7384 ± 0.0006 Å
• c: 9.9178 ± 0.0006 Å
• α: 99.575 ± 0.001°
• β: 98.575 ± 0.001°
• γ: 108.029 ± 0.001°
• Cell volume: 711.93 ± 0.08 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0439
• Residual factor for significantly intense reflections: 0.0406
• Weighted residual factors for significantly intense reflections: 0.11
• Weighted residual factors for all reflections included in the refinement: 0.1124
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No