Information card for entry 7100856

Structure parameters

• Common name: BF2 chelated (3,5-Diphenyl-1H-pyrrol-2-yl)-(3-(4- dimethylaminophenyl) -5-phenylpyrrol-2-ylidene)-amine
• Formula: C34 H27 B F2 N4
• Calculated formula: C34 H27 B F2 N4
• SMILES: [B]1(F)(F)n2c(N=C3[N]1=C(C=C3c1ccc(N(C)C)cc1)c1ccccc1)c(cc2c1ccccc1)c1ccccc1
• Title of publication: Impact of a Conformationally Restricted Receptor on the BF2 Chelated Azadipyrromethene Fluorosensing Platform
• Authors of publication: O. Donal; John Killoran
• Journal of publication: Chemical Communications
• Year of publication: 2006
• a: 10.755 ± 0.003 Å
• b: 10.824 ± 0.003 Å
• c: 12.163 ± 0.004 Å
• α: 91.726 ± 0.006°
• β: 113.148 ± 0.005°
• γ: 96.565 ± 0.006°
• Cell volume: 1288.9 ± 0.7 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 5
• 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