Information card for entry 4020360

Structure parameters

• Formula: C30 H44 N4 O6
• Calculated formula: C30 H44 N4 O6
• SMILES: c12c(N3CN2CCOCCOCCOCCN2c4c(cccc4)N(C2)CCOCCOCCOCC3)cccc1
• Authors of publication: Sven H. Hausner; Cynthia A. F. Striley; Jeanette A. Krause-Bauer; Hans Zimmer
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2005
• Journal volume: 70
• Pages of publication: 5804 - 5817
• a: 12.733 ± 0.002 Å
• b: 8.8578 ± 0.0013 Å
• c: 13.232 ± 0.002 Å
• α: 90°
• β: 96.619 ± 0.003°
• γ: 90°
• Cell volume: 1482.5 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.0619
• Weighted residual factors for significantly intense reflections: 0.1148
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No