Information card for entry 4028278

Structure parameters

• Formula: C31 H19 F5 N2 O4
• Calculated formula: C31 H19 F5 N2 O4
• SMILES: Fc1c(C(c2[nH]c(cc2)C(=O)c2ccc(OC)cc2)=c2ncc(c2)C(=O)c2ccc(OC)cc2)c(F)c(F)c(F)c1F
• Title of publication: α-Monoacylated and α,α'- and α,β'-Diacylated Dipyrrins as Highly Sensitive Fluorescence "Turn-on" Zn2+ Probes
• Authors of publication: Yubin Ding; Xin Li; Tong Li; Weihong Zhu; Yongshu Xie
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2013
• Journal volume: 78
• Pages of publication: 5328 - 5338
• a: 7.2931 ± 0.0009 Å
• b: 13.1303 ± 0.0014 Å
• c: 13.7726 ± 0.0015 Å
• α: 92.71 ± 0.001°
• β: 96.367 ± 0.001°
• γ: 98.725 ± 0.002°
• Cell volume: 1292.8 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1102
• Residual factor for significantly intense reflections: 0.0528
• Weighted residual factors for significantly intense reflections: 0.0964
• Weighted residual factors for all reflections included in the refinement: 0.1095
• 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