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Information card for entry 4028279
Preview
Coordinates | 4028279.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C47 H28 F10 N4 O5 Zn |
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Calculated formula | C47 H28 F10 N4 O5 Zn |
SMILES | [Zn]1234(n5c(ccc5C(=c5[n]1ccc5)c1c(F)c(F)c(F)c(F)c1F)C(=[O]3)c1ccc(OC)cc1)n1c(ccc1C(=c1[n]2ccc1)c1c(F)c(F)c(F)c(F)c1F)C(=[O]4)c1ccc(OC)cc1.OC |
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 | 12.89 ± 0.0013 Å |
b | 16.4959 ± 0.0015 Å |
c | 21.712 ± 0.002 Å |
α | 92.231 ± 0.001° |
β | 90.21 ± 0.001° |
γ | 112.136 ± 0.002° |
Cell volume | 4272.3 ± 0.7 Å3 |
Cell temperature | 298 ± 2 K |
Ambient diffraction temperature | 298 ± 2 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 | 0.1808 |
Residual factor for significantly intense reflections | 0.0732 |
Weighted residual factors for significantly intense reflections | 0.1576 |
Weighted residual factors for all reflections included in the refinement | 0.2211 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.032 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4028279.html
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