Information card for entry 4000603

Structure parameters

• Formula: C37 H51 N6 O10
• Calculated formula: C37 H51 N6 O10
• SMILES: [O]N1C(=N(=O)C(C1(C)C)(C)C)c1cc(ccc1)C(=O)Oc1c(ccc(c1)C1=N(=O)C(C(N1[O])(C)C)(C)C)C1=N(=O)C(C(N1[O])(C)C)(C)C.O=C(C)C.O
• Title of publication: 'Syntheses, Crystal Structures and Magnetic Properties of Nitronyl Nitroxide Triradicals Composed of Ground-State Singlet Biradicals and Monoradicals: Molecular Spin Clusters in the Crystal'
• Authors of publication: Tomoaki Ise; Daisuke Shiomi; Kazunobu Sato; Takeji Takui
• Journal of publication: Chemistry of Materials
• Year of publication: 2005
• a: 17.6802 ± 0.0009 Å
• b: 10.3712 ± 0.0004 Å
• c: 21.565 ± 0.001 Å
• α: 90°
• β: 96.092 ± 0.003°
• γ: 90°
• Cell volume: 3931.9 ± 0.3 ų
• Cell temperature: 143.1 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No