Information card for entry 4300450

Structure parameters

• Formula: C31 H52 N6
• Calculated formula: C31 H52 N6
• SMILES: n1n(C(n2nc(C(C)(C)C)cc2C(C)C)n2nc(C(C)(C)C)cc2C(C)C)c(cc1C(C)(C)C)C(C)C
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• a: 11.777 ± 0.002 Å
• b: 22.315 ± 0.004 Å
• c: 12.774 ± 0.002 Å
• α: 90°
• β: 94.287 ± 0.009°
• γ: 90°
• Cell volume: 3347.7 ± 1 ų
• Cell temperature: 296.1 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No