Information card for entry 8000232

Structure parameters

• Formula: C51 H51.42 N2 O
• Calculated formula: C51 H51.4255 N2 O
• Title of publication: Fast Photochromism Involving Thermally-Activated Valence Isomerization of Phenoxyl-Imidazolyl Radical Complex Derivatives.
• Authors of publication: Kobayashi, Yoichi; Shima, Kentaro; Mutoh, Katsuya; Abe, Jiro
• Journal of publication: The journal of physical chemistry letters
• Year of publication: 2016
• Journal volume: 7
• Journal issue: 16
• Pages of publication: 3067 - 3072
• a: 14.2277 ± 0.0006 Å
• b: 17.004 ± 0.0009 Å
• c: 17.1275 ± 0.0006 Å
• α: 95.533 ± 0.002°
• β: 91.1547 ± 0.0014°
• γ: 104.605 ± 0.002°
• Cell volume: 3986.8 ± 0.3 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0875
• Residual factor for significantly intense reflections: 0.0609
• Weighted residual factors for significantly intense reflections: 0.1584
• Weighted residual factors for all reflections included in the refinement: 0.178
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No