Information card for entry 7118338

Structure parameters

• Formula: C39 H36 N2 O S
• Calculated formula: C39 H36 N2 O S
• SMILES: s1c2C3(n4c(c(nc4c2cc1c1ccccc1)c1ccccc1)c1ccccc1)C=C(C(=O)C(=C3)C(C)(C)C)C(C)(C)C
• Title of publication: Thiophene-substituted phenoxyl-imidazolyl radical complexes with high photosensitivity.
• Authors of publication: Ikezawa, Takahiro; Mutoh, Katsuya; Kobayashi, Yoichi; Abe, Jiro
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 12
• Pages of publication: 2465 - 2468
• a: 12.934 ± 0.0008 Å
• b: 9.3801 ± 0.0005 Å
• c: 26.147 ± 0.0015 Å
• α: 90°
• β: 97.1867 ± 0.0008°
• γ: 90°
• Cell volume: 3147.3 ± 0.3 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0465
• Residual factor for significantly intense reflections: 0.0361
• Weighted residual factors for significantly intense reflections: 0.0809
• Weighted residual factors for all reflections included in the refinement: 0.0862
• Goodness-of-fit parameter for all reflections included in the refinement: 0.962
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No