Information card for entry 7100855

Structure parameters

• Common name: BF2 chelated (3,5-Diphenyl-1H-pyrrol-2-yl)-(3-(4- dimethylamino-2,6 -dimethylphenyl)-5-phenylpyrrol-2-ylidene)-amine
• Formula: C36 H31 B F2 N4
• Calculated formula: C36 H31 B F2 N4
• SMILES: [B]1(F)(F)n2c(N=C3[N]1=C(C=C3c1c(cc(N(C)C)cc1C)C)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: 42.555 ± 0.007 Å
• b: 5.3195 ± 0.0009 Å
• c: 12.78 ± 0.002 Å
• α: 90°
• β: 103.405 ± 0.004°
• γ: 90°
• Cell volume: 2814.3 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No