Information card for entry 4124872

Structure parameters

• Formula: C51 H45 N3 O
• Calculated formula: C51 H45 N3 O
• SMILES: n12c(nc(c1c1ccccc1)c1ccccc1)c1c(c3c(cc1)cccc3)C12c2c(cccc2)C=CC1=C1C=C(C(=O)C(=C1)C(C)(C)C)C(C)(C)C.C(#N)C
• Title of publication: Fast Negative Photochromism of 1,1'-Binaphthyl-Bridged Phenoxyl-Imidazolyl Radical Complex.
• Authors of publication: Yamaguchi, Tetsuo; Kobayashi, Yoichi; Abe, Jiro
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2016
• Journal volume: 138
• Journal issue: 3
• Pages of publication: 906 - 913
• a: 11.619 ± 0.002 Å
• b: 18.416 ± 0.003 Å
• c: 19.597 ± 0.004 Å
• α: 77.068 ± 0.002°
• β: 81.666 ± 0.002°
• γ: 89.163 ± 0.002°
• Cell volume: 4043.1 ± 1.3 ų
• Cell temperature: 90 K
• Ambient diffraction temperature: 90 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: 0.0622
• Residual factor for significantly intense reflections: 0.0425
• Weighted residual factors for significantly intense reflections: 0.1018
• Weighted residual factors for all reflections included in the refinement: 0.1104
• Goodness-of-fit parameter for all reflections included in the refinement: 0.984
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No