Information card for entry 7154932

Structure parameters

• Common name: bodipy
• Formula: C21 H26 B F2 N3 O
• Calculated formula: C21 H26 B F2 N3 O
• SMILES: [B]1(F)(F)[n]2c(=C(c3ccc(cc3)N)c3c(cc(C)n13)C)c(cc2C)C.C(C)O
• 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: 16.478 ± 0.0012 Å
• b: 7.1238 ± 0.0005 Å
• c: 17.2258 ± 0.0012 Å
• α: 90°
• β: 101.934 ± 0.004°
• γ: 90°
• Cell volume: 1978.4 ± 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: 0.07
• Residual factor for significantly intense reflections: 0.0525
• Weighted residual factors for significantly intense reflections: 0.1449
• Weighted residual factors for all reflections included in the refinement: 0.1582
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No