Information card for entry 1545934

Structure parameters

• Formula: C21 H25 B F2 N2 O4
• Calculated formula: C21 H25 B F2 N2 O4
• Title of publication: Decorated BODIPY Fluorophores and Thiol-Reactive Fluorescence Probes by an Aldol Addition.
• Authors of publication: Patalag, Lukas J.; Ulrichs, Jan A.; Jones, Peter G.; Werz, Daniel B.
• Journal of publication: Organic letters
• Year of publication: 2017
• Journal volume: 19
• Journal issue: 8
• Pages of publication: 2090 - 2093
• a: 7.5261 ± 0.0003 Å
• b: 12.0151 ± 0.0004 Å
• c: 23.1016 ± 0.0008 Å
• α: 89.001 ± 0.003°
• β: 85.625 ± 0.003°
• γ: 82.143 ± 0.003°
• Cell volume: 2063.31 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.046
• Residual factor for significantly intense reflections: 0.0419
• Weighted residual factors for significantly intense reflections: 0.1087
• Weighted residual factors for all reflections included in the refinement: 0.1115
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No