Information card for entry 1519259

Structure parameters

• Formula: C20 H24 N4
• Calculated formula: C20 H24 N4
• SMILES: N1(C(N2CCCCC2)=C2C=CC(C=C2)=C(C#N)C#N)CCCCC1
• Title of publication: C20H24N4
• Authors of publication: Bell, Norman A.; Light, Mark E.; Hursthouse, Michael B.
• Journal of publication: Crystal Structure Report Archive
• Year of publication: 2000
• Pages of publication: 736
• a: 8.7176 ± 0.0001 Å
• b: 13.4265 ± 0.0002 Å
• c: 16.1511 ± 0.0004 Å
• α: 95.555 ± 0.001°
• β: 101.99 ± 0.001°
• γ: 104.518 ± 0.001°
• Cell volume: 1767.88 ± 0.06 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0671
• Residual factor for significantly intense reflections: 0.0408
• Weighted residual factors for significantly intense reflections: 0.094
• Weighted residual factors for all reflections included in the refinement: 0.1062
• Goodness-of-fit parameter for all reflections included in the refinement: 0.992
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No