Information card for entry 4000602

Structure parameters

• Formula: C34 H43 N6 O8
• Calculated formula: C34 H43 N6 O8
• SMILES: [O]N1C(=N(=O)C(C1(C)C)(C)C)c1ccc(cc1)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
• 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: 11.773 ± 0.003 Å
• b: 12.173 ± 0.003 Å
• c: 14.493 ± 0.002 Å
• α: 62.95 ± 0.05°
• β: 67.76 ± 0.05°
• γ: 70.49 ± 0.05°
• Cell volume: 1678.9 ± 0.6 ų
• Cell temperature: 105.1 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No