Information card for entry 7119126

Structure parameters

• Chemical name: by-product 1
• Formula: C31 H20 N2 O3
• Calculated formula: C31 H20 N2 O3
• SMILES: N(C(=O)c1ccccc1)(C1=NC2(c3c4c1cccc4ccc3)C=CC(=O)C=C2)C(=O)c1ccccc1
• 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: 10.4123 ± 0.0013 Å
• b: 10.6141 ± 0.0013 Å
• c: 22.372 ± 0.003 Å
• α: 90°
• β: 101.14 ± 0.0017°
• γ: 90°
• Cell volume: 2425.9 ± 0.5 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: 0.0454
• Residual factor for significantly intense reflections: 0.0341
• Weighted residual factors for significantly intense reflections: 0.0748
• Weighted residual factors for all reflections included in the refinement: 0.08
• Goodness-of-fit parameter for all reflections included in the refinement: 0.997
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No