Information card for entry 4304450

Structure parameters

• Formula: C20 H23 N5
• Calculated formula: C20 H23 N5
• SMILES: N(=C(/N=Nc1c(cc(cc1C)C)C)C#N)/Nc1c(cc(cc1C)C)C
• Title of publication: Synthesis and Characterization of 3-Cyano- and 3-Nitroformazans, Nitrogen-Rich Analogues of β-Diketimine Ligands
• Authors of publication: Joe B. Gilroy; Peter O. Otieno; Michael J. Ferguson; Robert McDonald; Robin G. Hicks
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 1279 - 1286
• a: 7.137 ± 0.0005 Å
• b: 16.3529 ± 0.0012 Å
• c: 30.754 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3589.3 ± 0.4 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 3
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0726
• Residual factor for significantly intense reflections: 0.0466
• Weighted residual factors for significantly intense reflections: 0.1299
• Weighted residual factors for all reflections included in the refinement: 0.1547
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No