Information card for entry 7063123

Structure parameters

• Formula: C35 H25 B F2 I2 N2
• Calculated formula: C35 H25 B F2 I2 N2
• SMILES: Ic1c(c2n(c1C)[B](F)(F)[n]1c(=C2c2ccc(c3c4c5c(cc3)ccc3c5c(cc4)ccc3)cc2)c(c(I)c1C)C)C
• Title of publication: Photophysicochemical and electrochemical properties of pyrene–BODIPY platforms
• Authors of publication: Ömeroğlu, İpek; Köksoy, Baybars; Öztürk, Dilek; Salah, Lubna; Maksheed, Saad; Durmuş, Mahmut
• Journal of publication: New Journal of Chemistry
• Year of publication: 2024
• Journal volume: 48
• Journal issue: 26
• Pages of publication: 11638 - 11646
• a: 10.35 ± 0.003 Å
• b: 11.258 ± 0.003 Å
• c: 15.292 ± 0.005 Å
• α: 75.396 ± 0.008°
• β: 75.221 ± 0.008°
• γ: 68.248 ± 0.007°
• Cell volume: 1575.4 ± 0.8 ų
• Cell temperature: 296.15 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0802
• Residual factor for significantly intense reflections: 0.0432
• Weighted residual factors for significantly intense reflections: 0.0932
• Weighted residual factors for all reflections included in the refinement: 0.1097
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No