Information card for entry 1506917

Structure parameters

• Chemical name: terpyridine
• Formula: C29 H37 N7 O6
• Calculated formula: C29 H37 N7 O6
• SMILES: n1c(c2ncc(C3=N(=O)C(C([N]3=O)(C)C)(C)C)cc2)cccc1c1ncc(C2=N(=O)C(C([N]2=O)(C)C)(C)C)cc1.O.O
• Title of publication: A multifunctional high-spin biradical pyrazolylbipyridine-bisnitronylnitroxide.
• Authors of publication: Zoppellaro, Giorgio; Enkelmann, Volker; Geies, Ahmed; Baumgarten, Martin
• Journal of publication: Organic letters
• Year of publication: 2004
• Journal volume: 6
• Journal issue: 26
• Pages of publication: 4929 - 4932
• a: 6.569 Å
• b: 21.561 Å
• c: 20.662 Å
• α: 90°
• β: 90.8°
• γ: 90°
• Cell volume: 2926.16 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.0645
• Weighted residual factors for all reflections included in the refinement: 0.0666
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0293
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No