Information card for entry 7119127

Structure parameters

• Chemical name: by-product 2
• Formula: C31 H19.46 Cl0.08 N2 O
• Calculated formula: C31 H19.4583 Cl0.0835 N2 O
• 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: 15.6018 ± 0.0016 Å
• b: 11.8059 ± 0.0012 Å
• c: 23.666 ± 0.002 Å
• α: 90°
• β: 100.492 ± 0.0012°
• γ: 90°
• Cell volume: 4286.2 ± 0.7 ų
• Cell temperature: 90 K
• Ambient diffraction temperature: 90 K
• Number of distinct elements: 5
• 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: 0.0577
• Residual factor for significantly intense reflections: 0.0415
• Weighted residual factors for significantly intense reflections: 0.101
• Weighted residual factors for all reflections included in the refinement: 0.1098
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No