Information card for entry 7152260

Structure parameters

• Formula: C24 H24 N7 O2
• Calculated formula: C24 H24 N7 O2
• SMILES: n1(nccc1)c1nc(n2nccc2)cc(c2cccc(c2)C2=N(=O)C(C([N]2=O)(C)C)(C)C)c1
• Title of publication: Syntheses, optical and intramolecular magnetic properties of mono- and di-radicals based on nitronyl-nitroxide and oxoverdazyl groups appended to 2,6-bispyrazolylpyridine cores.
• Authors of publication: Hui, Pramiti; Arif, Khaja Md; Chandrasekar, Rajadurai
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2012
• Journal volume: 10
• Journal issue: 12
• Pages of publication: 2439 - 2446
• a: 14.584 ± 0.002 Å
• b: 10.5609 ± 0.0014 Å
• c: 15.24 ± 0.002 Å
• α: 90°
• β: 109.665 ± 0.002°
• γ: 90°
• Cell volume: 2210.4 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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 all reflections: 0.1084
• Residual factor for significantly intense reflections: 0.0651
• Weighted residual factors for significantly intense reflections: 0.1373
• Weighted residual factors for all reflections included in the refinement: 0.1542
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No