Information card for entry 7118336

Structure parameters

• Formula: C39 H36 N2 O S
• Calculated formula: C39 H36 N2 O S
• SMILES: s1c2c(C3(n4c(c5ccccc5)c(nc24)c2ccccc2)C=C(C(=O)C(=C3)C(C)(C)C)C(C)(C)C)cc1c1ccccc1
• 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: 13.163 ± 0.0009 Å
• b: 9.4788 ± 0.0007 Å
• c: 25.5497 ± 0.0018 Å
• α: 90°
• β: 96.7832 ± 0.001°
• γ: 90°
• Cell volume: 3165.5 ± 0.4 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: 0.0556
• Residual factor for significantly intense reflections: 0.0388
• Weighted residual factors for significantly intense reflections: 0.0894
• Weighted residual factors for all reflections included in the refinement: 0.0977
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No