Information card for entry 4061972

Structure parameters

• Formula: C28 H28 Al B
• Calculated formula: C28 H28 Al B
• SMILES: [Al]1234([c]5([c]4([c]3([c]2([c]15C)C)C)C)C)[B]1(c2ccccc2c2ccccc12)c1ccccc1
• Journal of publication: Organometallics
• Year of publication: 2003
• a: 11.0625 ± 0.0001 Å
• b: 12.7668 ± 0.0002 Å
• c: 17.3434 ± 0.0003 Å
• α: 90°
• β: 108.228 ± 0.001°
• γ: 90°
• Cell volume: 2326.54 ± 0.06 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No