Information card for entry 7119332

Structure parameters

• Common name: Imino-BODIPY
• Chemical name: Zwitterionic Imino-BODIPY
• Formula: C19 H16 B F7 N4
• Calculated formula: C19 H16 B F7 N4
• SMILES: F[B]1(F)n2c(C(c3c(F)c(F)c(F)c(F)c3F)=C3N1/C(=N/C)C=C3)ccc2[N+](C)(C)C
• 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: 15.712 ± 0.005 Å
• b: 9.184 ± 0.003 Å
• c: 13.544 ± 0.004 Å
• α: 90°
• β: 111.297 ± 0.008°
• γ: 90°
• Cell volume: 1820.9 ± 1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• 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: 0.2394
• Residual factor for significantly intense reflections: 0.0645
• Weighted residual factors for significantly intense reflections: 0.1269
• Weighted residual factors for all reflections included in the refinement: 0.1699
• Goodness-of-fit parameter for all reflections included in the refinement: 0.959
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No