Information card for entry 1515717

Structure parameters

• Formula: C14 H17 Cl F3 N O3
• Calculated formula: C14 H17 Cl F3 N O3
• SMILES: [nH+]1ccc(cc1)/C=C/c1ccc(cc1)C(F)(F)F.O.O.O.[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: 7.4124 ± 0.0003 Å
• b: 9.5475 ± 0.0004 Å
• c: 12.201 ± 0.0005 Å
• α: 80.0619 ± 0.0006°
• β: 82.0762 ± 0.0006°
• γ: 75.3538 ± 0.0006°
• Cell volume: 818.84 ± 0.06 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: 0.0512
• Residual factor for significantly intense reflections: 0.0485
• Weighted residual factors for significantly intense reflections: 0.1336
• Weighted residual factors for all reflections included in the refinement: 0.1368
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No