Information card for entry 4101136

Structure parameters

• Formula: C36 H46 Al Br N2 O2
• Calculated formula: C36 H46 Al Br N2 O2
• SMILES: [Al]123([N](=Cc4c(O2)c(C(C)(C)C)cc(C(C)(C)C)c4)c2ccccc2[N]1=Cc1c(O3)c(C(C)(C)C)cc(C(C)(C)C)c1)Br
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2006
• a: 10.769 ± 0.0003 Å
• b: 12.4573 ± 0.0005 Å
• c: 13.6139 ± 0.0005 Å
• α: 92.427 ± 0.002°
• β: 95.63 ± 0.002°
• γ: 110.941 ± 0.002°
• Cell volume: 1691.58 ± 0.1 ų
• Cell temperature: 90 ± 0.2 K
• Ambient diffraction temperature: 90 ± 0.2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No