Information card for entry 7202196

Structure parameters

• Formula: C34 H38 N2 O5 P S
• Calculated formula: C34 H38 N2 O5 P S
• SMILES: S(=O)(=O)([O-])CNC(=O)C1C([N](=O)C(C)(C)C1)(C)C.[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: The first organic paramagnetic metal containing the aminoxyl radical
• Authors of publication: Akutsu, Hiroki; Sato, Keiko; Yamashita, Shinji; Yamada, Jun-ichi; Nakatsuji, Shin'ichi; Turner, Scott S.
• Journal of publication: Journal of Materials Chemistry
• Year of publication: 2008
• Journal volume: 18
• Journal issue: 28
• Pages of publication: 3313
• a: 12.042 ± 0.003 Å
• b: 12.306 ± 0.003 Å
• c: 11.691 ± 0.004 Å
• α: 95.75 ± 0.03°
• β: 111.52 ± 0.02°
• γ: 83.2 ± 0.02°
• Cell volume: 1597.3 ± 0.8 ų
• Cell temperature: 294.1 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0516
• Weighted residual factors for all reflections included in the refinement: 0.0597
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No