Information card for entry 1515726

Structure parameters

• Formula: C26 H20 Br2 N2
• Calculated formula: C26 H20 Br2 N2
• SMILES: Brc1ccc(C2C(C(C2c2ccncc2)c2ccc(Br)cc2)c2ccncc2)cc1
• 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: 9.8477 ± 0.0005 Å
• b: 9.4161 ± 0.0005 Å
• c: 24.1091 ± 0.0012 Å
• α: 90°
• β: 90.2071 ± 0.0009°
• γ: 90°
• Cell volume: 2235.5 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0696
• Residual factor for significantly intense reflections: 0.0432
• Weighted residual factors for significantly intense reflections: 0.107
• Weighted residual factors for all reflections included in the refinement: 0.1203
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No