Information card for entry 7157379

Structure parameters

• Formula: C21 H20 B F6 N3 O
• Calculated formula: C21 H20 B F6 N3 O
• Title of publication: Exploring the relationship between structure and activity in BODIPYs designed for antimicrobial phototherapy.
• Authors of publication: Hohlfeld, Benjamin F.; Gitter, Burkhard; Flanagan, Keith J.; Kingsbury, Christopher J.; Kulak, Nora; Senge, Mathias O.; Wiehe, Arno
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2020
• Journal volume: 18
• Journal issue: 13
• Pages of publication: 2416 - 2431
• a: 27.747 ± 0.003 Å
• b: 9.3839 ± 0.0009 Å
• c: 7.7982 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2030.5 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0649
• Residual factor for significantly intense reflections: 0.0498
• Weighted residual factors for significantly intense reflections: 0.0861
• Weighted residual factors for all reflections included in the refinement: 0.0895
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No