Information card for entry 1515715

Structure parameters

• Formula: C13 H18 Cl N O3
• Calculated formula: C13 H18 Cl N O3
• SMILES: [Cl-].[nH+]1ccc(cc1)/C=C/c1ccccc1.O.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: 7.0919 ± 0.0005 Å
• b: 10.1566 ± 0.0007 Å
• c: 10.9322 ± 0.0007 Å
• α: 69.8118 ± 0.0009°
• β: 82.7066 ± 0.001°
• γ: 79.1375 ± 0.001°
• Cell volume: 724.18 ± 0.09 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: 0.0604
• Residual factor for significantly intense reflections: 0.055
• Weighted residual factors for significantly intense reflections: 0.1553
• Weighted residual factors for all reflections included in the refinement: 0.1626
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No