Information card for entry 2006521

Structure parameters

• Formula: C26 H42 N4 O6
• Calculated formula: C26 H42 N4 O6
• SMILES: CC(=C(C(=O)C)\CCc1ccccn1)/NCCN/C(=C(C(=O)C)/CCc1ccccn1)C.O.O.O.O
• Title of publication: A Hydrated Schiff Base Derivative of Bis(acetylacetone)ethylenediimine with 2-Pyridinylethyl Side Chains
• Authors of publication: Lawrence C. Nathan; Michael E. Silver
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 9
• Pages of publication: 1351 - 1354
• a: 9.465 ± 0.002 Å
• b: 10.505 ± 0.002 Å
• c: 15.797 ± 0.003 Å
• α: 70.63 ± 0.03°
• β: 83.13 ± 0.03°
• γ: 69.87 ± 0.03°
• Cell volume: 1391.2 ± 0.6 ų
• Cell temperature: 293 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1658
• Residual factor for significantly intense reflections: 0.0666
• Weighted residual factors for all reflections: 0.2253
• Weighted residual factors for significantly intense reflections: 0.1765
• Goodness-of-fit parameter for all reflections: 0.984
• Goodness-of-fit parameter for significantly intense reflections: 1.273
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No