Information card for entry 4100199

Structure parameters

• Formula: C42 H46 N6 O2
• Calculated formula: C42 H46 N6 O2
• SMILES: O1c2c(C3(N(C(=O)c4c3cccc4)CCN(Cc3ncccc3)Cc3ncccc3)c3c1cc(N(CC)CC)cc3)ccc(N(CC)CC)c2
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2005
• a: 11.896 ± 0.003 Å
• b: 11.812 ± 0.003 Å
• c: 12.988 ± 0.003 Å
• α: 90°
• β: 90.592 ± 0.004°
• γ: 90°
• Cell volume: 1824.8 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No