Information card for entry 8000231

Structure parameters

• Formula: C37 H39 N2 O2
• Calculated formula: C37 H39 N2 O2
• SMILES: c12ccccc1c1c(c3ccccc3)nc(c3ccccc3)n1C12C=C(C(=O)C(=C1)C(C)(C)C)C(C)(C)C.C(O)C
• Title of publication: Fast Photochromism Involving Thermally-Activated Valence Isomerization of Phenoxyl-Imidazolyl Radical Complex Derivatives.
• Authors of publication: Kobayashi, Yoichi; Shima, Kentaro; Mutoh, Katsuya; Abe, Jiro
• Journal of publication: The journal of physical chemistry letters
• Year of publication: 2016
• Journal volume: 7
• Journal issue: 16
• Pages of publication: 3067 - 3072
• a: 22.9575 ± 0.0012 Å
• b: 13.5678 ± 0.0007 Å
• c: 10.0581 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3132.9 ± 0.3 ų
• Cell temperature: 90 K
• Ambient diffraction temperature: 90 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0553
• Residual factor for significantly intense reflections: 0.0486
• Weighted residual factors for significantly intense reflections: 0.1231
• Weighted residual factors for all reflections included in the refinement: 0.128
• Goodness-of-fit parameter for all reflections included in the refinement: 0.99
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No