Information card for entry 7151108

Structure parameters

• Common name: 2-Amino-9-(2-(4-(1-oxyl-3-oxido-4,4,5,5-tetramethyl- imidazolidin-2-yl)-phenoxy)-ethyl)-1,9-dihydro-purin-6-one
• Chemical name: 2-Amino-9-{2-[4-(1-oxyl-3-oxido-4,4,5,5-tetramethyl- imidazolidin-2-yl)-phenoxy]-ethyl}-1,9-dihydro-purin-6-one
• Formula: C21 H25 Cl3 N7 O4
• Calculated formula: C21 H25 Cl3 N7 O4
• SMILES: ClC(Cl)Cl.O=[N]1C(=N(=O)C(C1(C)C)(C)C)c1ccc(OCCn2c3nc([nH]c(=O)c3nc2)N)cc1
• Title of publication: A guanine-substituted nitronyl nitroxide radical forming a one-dimensional ferromagnetic chain.
• Authors of publication: Maekawa, Kensuke; Shiomi, Daisuke; Ise, Tomoaki; Sato, Kazunobu; Takui, Takeji
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2007
• Journal volume: 5
• Journal issue: 10
• Pages of publication: 1641 - 1645
• a: 8.38 ± 0.007 Å
• b: 10.583 ± 0.008 Å
• c: 29.23 ± 0.03 Å
• α: 90°
• β: 99.424 ± 0.01°
• γ: 90°
• Cell volume: 2557 ± 4 ų
• Cell temperature: 183.1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.0819
• Weighted residual factors for all reflections included in the refinement: 0.1968
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No