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Information card for entry 1515945
Preview
Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 1515945.cif |
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Original paper (by DOI) | HTML |
Formula | C74 H39 F6 N3 O8 |
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Calculated formula | C74 H39 F6 N3 O8 |
SMILES | c1(ccccc1C(=O)Oc1c2ccc3cccc4c3c2c(cc4)cc1)Nc1ccccc1C(=O)Oc1ccc2c3c4c(cc2)cccc4ccc13.C(F)(F)(F)c1cccc(c1)N1C(=O)c2ccc3C(=O)N(C(=O)c4c3c2c(C1=O)cc4)c1cccc(C(F)(F)F)c1 |
Title of publication | Recognition of sequence-information in synthetic copolymer chains by a conformationally-constrained tweezer molecule |
Authors of publication | Colquhoun, Howard M.; Zhu, Zhixue; Cardin, Christine J.; Drew, Michael G. B.; Gan, Yu |
Journal of publication | Faraday Discussions |
Year of publication | 2009 |
Journal volume | 143 |
Pages of publication | 205 |
a | 10.7436 ± 0.0005 Å |
b | 15.0043 ± 0.0009 Å |
c | 25.7202 ± 0.0012 Å |
α | 81.728 ± 0.004° |
β | 89.451 ± 0.004° |
γ | 73.073 ± 0.005° |
Cell volume | 3922.9 ± 0.4 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 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 | 0.1466 |
Residual factor for significantly intense reflections | 0.1199 |
Weighted residual factors for significantly intense reflections | 0.3306 |
Weighted residual factors for all reflections included in the refinement | 0.353 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.28 |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/1515945.html
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Users of the data should acknowledge the original authors of the
structural data.