Information card for entry 7207677

Structure parameters

• Formula: C23 H26 B F2 N5
• Calculated formula: C23 H26 B F2 N5
• SMILES: [B]1(F)(F)[n]2c(c(c(c2=C(c2n1c(c(c2C)CC)C)c1ccc(N=N#N)cc1)C)CC)C
• Title of publication: Exploring Förster electronic energy transfer in a decoupled anthracenyl-based borondipyrromethene (bodipy) dyad.
• Authors of publication: Bai, Dan; Benniston, Andrew C.; Hagon, Jerry; Lemmetyinen, Helge; Tkachenko, Nikolai V.; Clegg, William; Harrington, Ross W.
• Journal of publication: Physical chemistry chemical physics : PCCP
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 13
• Pages of publication: 4447 - 4456
• a: 7.4253 ± 0.0004 Å
• b: 18.6837 ± 0.0011 Å
• c: 7.9579 ± 0.0005 Å
• α: 90°
• β: 96.325 ± 0.006°
• γ: 90°
• Cell volume: 1097.3 ± 0.11 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0896
• Residual factor for significantly intense reflections: 0.0455
• Weighted residual factors for significantly intense reflections: 0.0973
• Weighted residual factors for all reflections included in the refinement: 0.1053
• Goodness-of-fit parameter for all reflections included in the refinement: 0.873
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No