Information card for entry 7154934

Structure parameters

• Common name: Bodipy
• Formula: C19 H18 B F2 N3 O2
• Calculated formula: C19 H18 B F2 N3 O2
• SMILES: [B]1(F)(F)[n]2c(cc(c2=C(c2ccc(cc2)N(=O)=O)c2c(cc(C)n12)C)C)C
• Title of publication: Antimicrobial activity of a quaternized BODIPY against Staphylococcus strains.
• Authors of publication: Aydın Tekdaş, Duygu; Viswanathan, Geetha; Zehra Topal, Sevinc; Looi, Chung Yeng; Wong, Won Fen; Min Yi Tan, Grace; Zorlu, Yunus; Gürek, Ayşe Gül; Lee, Hong Boon; Dumoulin, Fabienne
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2016
• Journal volume: 14
• Journal issue: 9
• Pages of publication: 2665 - 2670
• a: 6.8808 ± 0.0005 Å
• b: 8.3233 ± 0.0006 Å
• c: 30.274 ± 0.002 Å
• α: 90°
• β: 95.36 ± 0.003°
• γ: 90°
• Cell volume: 1726.2 ± 0.2 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0434
• Residual factor for significantly intense reflections: 0.0405
• Weighted residual factors for significantly intense reflections: 0.1008
• Weighted residual factors for all reflections included in the refinement: 0.1023
• Goodness-of-fit parameter for all reflections included in the refinement: 1.133
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No