Information card for entry 4123601

Structure parameters

• Formula: C35 H34 N2 O
• Calculated formula: C35 H34 N2 O
• SMILES: O=C1C(=CC2(n3c(nc(c4ccccc4)c3c3ccccc3)c3c2cccc3)C=C1C(C)(C)C)C(C)(C)C
• Title of publication: Photochromic phenoxyl-imidazolyl radical complexes with decoloration rates from tens of nanoseconds to seconds.
• Authors of publication: Yamashita, Hiroaki; Ikezawa, Takahiro; Kobayashi, Yoichi; Abe, Jiro
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2015
• Journal volume: 137
• Journal issue: 15
• Pages of publication: 4952 - 4955
• a: 11.6301 ± 0.0008 Å
• b: 14.6628 ± 0.001 Å
• c: 18.6681 ± 0.0013 Å
• α: 68.484 ± 0.001°
• β: 89.078 ± 0.001°
• γ: 70.126 ± 0.001°
• Cell volume: 2763.7 ± 0.3 ų
• Cell temperature: 90 ± 0.2 K
• Ambient diffraction temperature: 90 ± 0.2 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: 0.0638
• Residual factor for significantly intense reflections: 0.0429
• Weighted residual factors for significantly intense reflections: 0.0981
• Weighted residual factors for all reflections included in the refinement: 0.1061
• Goodness-of-fit parameter for all reflections included in the refinement: 1.199
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No