Information card for entry 4100365

Structure parameters

• Formula: C24 H48 N8 Na
• Calculated formula: C24 H48 N8 Na
• SMILES: [Na]12345[N]67CC[N]1(CC6)CCN(CC[N]14CC[N]5(CC1)CC8)CC[N]12CC[N]3(CC1)CCN8CC7
• Title of publication: Design and Synthesis of a Thermally Stable Organic Electride
• Authors of publication: Mikhail Y. Redko; James E. Jackson; Rui H. Huang; James L. Dye
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2005
• Journal volume: 127
• Pages of publication: 12416 - 12422
• a: 10.703 ± 0.002 Å
• b: 14.608 ± 0.003 Å
• c: 18.606 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2909.1 ± 1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No