Information card for entry 4100379

Structure parameters

• Common name: trianthryltriphenylborazine-iPr
• Formula: C76 H68 B3 N3
• Calculated formula: C76 H68 B3 N3
• SMILES: B1(N(B(N(B(N1c1ccc(cc1)C(C)C)c1c2ccccc2cc2ccccc12)c1ccc(cc1)C(C)C)c1c2ccccc2cc2ccccc12)c1ccc(cc1)C(C)C)c1c2ccccc2cc2ccccc12.c1(ccccc1)C
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2005
• a: 10.0274 ± 0.0009 Å
• b: 15.5465 ± 0.0014 Å
• c: 20.3707 ± 0.0018 Å
• α: 69.938 ± 0.002°
• β: 87.374 ± 0.002°
• γ: 83.796 ± 0.002°
• Cell volume: 2965.3 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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