Information card for entry 7119124

Structure parameters

• Chemical name: naphthalene bridged phenoxyl-imidazolyl radical complex
• Formula: C31 H20 N2 O
• Calculated formula: C31 H20 N2 O
• SMILES: n12c(nc(c1c1ccccc1)c1ccccc1)c1c3c(C42C=CC(=O)C=C4)cccc3ccc1
• Title of publication: Stealth fast photoswitching of negative photochromic naphthalene-bridged phenoxyl-imidazolyl radical complexes
• Authors of publication: Katsuya Mutoh; Yoichi Kobayashi; Yasukazu Hirao; Takashi Kubo; Jiro Abe
• Journal of publication: Chem.Commun.
• Year of publication: 2016
• Journal volume: 52
• Pages of publication: 6797
• a: 15.6295 ± 0.0014 Å
• b: 11.7772 ± 0.001 Å
• c: 23.646 ± 0.002 Å
• α: 90°
• β: 100.375 ± 0.001°
• γ: 90°
• Cell volume: 4281.4 ± 0.6 ų
• Cell temperature: 90 K
• Ambient diffraction temperature: 90 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: 0.0475
• Residual factor for significantly intense reflections: 0.0369
• Weighted residual factors for significantly intense reflections: 0.0874
• Weighted residual factors for all reflections included in the refinement: 0.0932
• Goodness-of-fit parameter for all reflections included in the refinement: 0.989
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No