Information card for entry 1551917

Structure parameters

• Common name: 18gtu172_ET1_bas
• Chemical name: bodipy
• Formula: C33 H27 B F2 N2 O
• Calculated formula: C33 H27 B F2 N2 O
• SMILES: [B]1([n]2c(=C(c3n1c(cc3C)/C=C/c1ccccc1)c1ccc(O)cc1)c(cc2/C=C/c1ccccc1)C)(F)F
• Title of publication: Novel ruthenium(ii) and iridium(iii) BODIPY dyes: insights into their application in photodynamic therapy in vitro.
• Authors of publication: Aksakal, Nuray Esra; Tanrıverdi Eçik, Esra; Kazan, Hasan Hüseyin; Yenilmez Çiftçi, Gönül; Yuksel, Fatma
• Journal of publication: Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology
• Year of publication: 2019
• Journal volume: 18
• Journal issue: 8
• Pages of publication: 2012 - 2022
• a: 26.758 ± 0.009 Å
• b: 9.137 ± 0.002 Å
• c: 22.861 ± 0.006 Å
• α: 90°
• β: 109.102 ± 0.018°
• γ: 90°
• Cell volume: 5281 ± 3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1025
• Residual factor for significantly intense reflections: 0.0668
• Weighted residual factors for significantly intense reflections: 0.1584
• Weighted residual factors for all reflections included in the refinement: 0.1824
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No