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Information card for entry 7103044
Preview
Coordinates | 7103044.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C26 H34 N2 O12 |
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Calculated formula | C26 H34 N2 O12 |
SMILES | C1(OCCOCCOCCOC(c2ccc(N(=O)=O)cc2)OCCOCCOCCO1)c1ccc(N(=O)=O)cc1 |
Title of publication | Facile acetal dynamic combinatorial library. |
Authors of publication | Berkovich-Berger, Dvora; Gabriel Lemcoff, N |
Journal of publication | Chemical communications (Cambridge, England) |
Year of publication | 2008 |
Journal issue | 14 |
Pages of publication | 1686 - 1688 |
a | 7.166 ± 0.003 Å |
b | 7.306 ± 0.003 Å |
c | 13.515 ± 0.006 Å |
α | 90.475 ± 0.007° |
β | 103.007 ± 0.007° |
γ | 93.823 ± 0.008° |
Cell volume | 687.7 ± 0.5 Å3 |
Cell temperature | 293 K |
Ambient diffraction temperature | 293 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.089 |
Residual factor for significantly intense reflections | 0.0728 |
Weighted residual factors for significantly intense reflections | 0.2074 |
Weighted residual factors for all reflections included in the refinement | 0.2271 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.023 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
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/7103044.html
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