Information card for entry 7053493

Structure parameters

• Formula: C24 H52 N6 Na2 O2
• Calculated formula: C24 H52 N6 Na2 O2
• SMILES: [Na]12([N]34[Na]56([O](C4=CCCC3)C)([O](C3=CCCC[N]153)C)[N](C)(C)CC[N]6(C)C)[N](CC[N]2(C)C)(C)C
• Title of publication: Homo- and heteroanionic alkali metal aza-enolate aggregates derived from o-methylvalerolactim ether
• Authors of publication: Andrews, Philip C.; Bull, Steven D.; Koutsaplis, Magdaline
• Journal of publication: New Journal of Chemistry
• Year of publication: 2010
• Journal volume: 34
• Journal issue: 8
• Pages of publication: 1678
• a: 10.32 ± 0.002 Å
• b: 19.468 ± 0.004 Å
• c: 15.943 ± 0.003 Å
• α: 90°
• β: 107.89 ± 0.03°
• γ: 90°
• Cell volume: 3048.2 ± 1.2 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0842
• Residual factor for significantly intense reflections: 0.0667
• Weighted residual factors for significantly intense reflections: 0.182
• Weighted residual factors for all reflections included in the refinement: 0.1976
• 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