Information card for entry 7154933

Structure parameters

• Common name: Bodipy
• Formula: C23 H29 B Cl2 F2 I N3
• Calculated formula: C23 H29 B Cl2 F2 I N3
• SMILES: [B]1(F)(F)[n]2c(C)cc(c2=C(c2c(cc(C)n12)C)c1ccc(cc1)[N+](C)(C)C)C.C(Cl)Cl.[I-]
• 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: 8.515 ± 0.0005 Å
• b: 9.7941 ± 0.0006 Å
• c: 17.2071 ± 0.001 Å
• α: 76.58 ± 0.003°
• β: 76.491 ± 0.003°
• γ: 75.658 ± 0.004°
• Cell volume: 1328.51 ± 0.14 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1216
• Residual factor for significantly intense reflections: 0.0852
• Weighted residual factors for significantly intense reflections: 0.21
• Weighted residual factors for all reflections included in the refinement: 0.2288
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No