Information card for entry 1515919

Structure parameters

• Formula: C23 H15 B F2 N2
• Calculated formula: C23 H15 B F2 N2
• SMILES: F[B]1(F)n2cccc2C(=c2[n]1ccc2)c1c2ccccc2cc2c1cccc2
• Title of publication: Exciplex-like emission from a closely-spaced, orthogonally-sited anthracenyl-boron dipyrromethene (Bodipy) molecular dyad.
• Authors of publication: Benniston, Andrew C.; Harriman, Anthony; Whittle, Victoria L.; Zelzer, Mischa; Harrington, Ross W.; Clegg, William
• Journal of publication: Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology
• Year of publication: 2010
• Journal volume: 9
• Journal issue: 7
• Pages of publication: 1009 - 1017
• a: 13.0065 ± 0.0007 Å
• b: 12.4226 ± 0.0006 Å
• c: 21.8351 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3528 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0673
• Residual factor for significantly intense reflections: 0.0426
• Weighted residual factors for significantly intense reflections: 0.0924
• Weighted residual factors for all reflections included in the refinement: 0.0972
• Goodness-of-fit parameter for all reflections included in the refinement: 0.964
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No