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Information card for entry 4503146
Preview
Coordinates | 4503146.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C20 H18 N2 O11 |
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Calculated formula | C20 H18 N2 O11 |
SMILES | O=C([O-])c1c(cc(c(c1)C(=O)[O-])C(=O)O)C(=O)O.Oc1c[nH+]ccc1.Oc1c[nH+]ccc1.O |
Title of publication | Investigation of Spontaneous Transition from Low-Molecular-Weight Hydrogel into Macroscopic Crystals |
Authors of publication | Wang, Yujiang; Tang, Liming; Yu, Jian |
Journal of publication | Crystal Growth & Design |
Year of publication | 2008 |
Journal volume | 8 |
Journal issue | 3 |
Pages of publication | 884 |
a | 14.341 ± 0.004 Å |
b | 12.286 ± 0.003 Å |
c | 10.964 ± 0.003 Å |
α | 90° |
β | 93.13 ± 0.03° |
γ | 90° |
Cell volume | 1928.9 ± 0.9 Å3 |
Cell temperature | 294 ± 1 K |
Ambient diffraction temperature | 294 ± 1 K |
Number of distinct elements | 4 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0552 |
Residual factor for significantly intense reflections | 0.043 |
Weighted residual factors for significantly intense reflections | 0.0892 |
Weighted residual factors for all reflections included in the refinement | 0.0945 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.057 |
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/4503146.html
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Users of the data should acknowledge the original authors of the
structural data.