Information card for entry 7119331

Structure parameters

• Common name: Oxo-BODIPY
• Chemical name: Zwitterionic Oxo-BODIPY
• Formula: C18 H13 B F7 N3 O
• Calculated formula: C18 H13 B F7 N3 O
• SMILES: Fc1c(C2=C3N(C(=O)C=C3)[B](F)(F)n3c2ccc3[N+](C)(C)C)c(F)c(F)c(F)c1F
• Title of publication: Zwitterionic BODIPYs with large stokes shift: small molecular biomarkers for live cells.
• Authors of publication: Sekhar, Adiki Raja; Sariki, Santhosh Kumar; Reddy, R. V. Ramana; Bisai, Alakesh; Sahu, Pushpendra Kumar; Tomar, Raghuvir S.; Sankar, Jeyaraman
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2017
• Journal volume: 53
• Journal issue: 6
• Pages of publication: 1096 - 1099
• a: 15.2794 ± 0.0004 Å
• b: 9.0171 ± 0.0002 Å
• c: 13.5025 ± 0.0004 Å
• α: 90°
• β: 111.891 ± 0.001°
• γ: 90°
• Cell volume: 1726.18 ± 0.08 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0483
• Residual factor for significantly intense reflections: 0.0373
• Weighted residual factors for significantly intense reflections: 0.099
• Weighted residual factors for all reflections included in the refinement: 0.1079
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No