Information card for entry 4315727

Structure parameters

• Common name: 2Se-BF2
• Chemical name: Difluoroboryl-(2-selenyl)dipyrrin
• Formula: C13 H9 B F2 N2 Se
• Calculated formula: C13 B F2 N2 Se
• Title of publication: Crystallographic, Photophysical, NMR Spectroscopic and Reactivity Manifestations of the "8-Heteroaryl Effect" in 4,4-Difluoro-8-(C4H3X)-4-bora-3a,4a-diaza-s-indacene (X= O, S, Se) (BODIPY) Systems
• Authors of publication: Kibong Kim; Changbum Jo; Shanmugam Easwaramoorthi; Jooyoung Sung; Dong Ho Kim; David G. Churchill
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 4881 - 4894
• a: 7.2983 ± 0.0001 Å
• b: 10.8015 ± 0.0002 Å
• c: 15.1294 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1192.69 ± 0.03 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0423
• Residual factor for significantly intense reflections: 0.0379
• Weighted residual factors for significantly intense reflections: 0.1026
• Weighted residual factors for all reflections included in the refinement: 0.105
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No