Information card for entry 7106201

Structure parameters

• Formula: C33 H26 F6 N4 S2
• Calculated formula: C33 H26 F6 N4 S2
• Title of publication: Photochemical control of dielectric properties based on intermolecular proton transfer in a hydrogen-bonded diarylethene crystal
• Authors of publication: Masakazu Morimoto; Masahiro Irie
• Journal of publication: Chem.Commun.
• Year of publication: 2011
• Journal volume: 47
• Pages of publication: 4186
• a: 11.0788 ± 0.0012 Å
• b: 29.771 ± 0.003 Å
• c: 9.3271 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3076.3 ± 0.6 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 5
• Space group number: 52
• Hermann-Mauguin space group symbol: P n n a
• Hall space group symbol: -P 2a 2bc
• Residual factor for all reflections: 0.0721
• Residual factor for significantly intense reflections: 0.0676
• Weighted residual factors for significantly intense reflections: 0.1717
• Weighted residual factors for all reflections included in the refinement: 0.1751
• Goodness-of-fit parameter for all reflections included in the refinement: 1.118
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No