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Information card for entry 4505816
Preview
Coordinates | 4505816.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | diketopiperazine + fumaric acid |
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Formula | C8 H10 N2 O6 |
Calculated formula | C8 H10 N2 O6 |
SMILES | C(=O)(/C=C/C(=O)O)O.C1(=O)NCC(=O)NC1 |
Title of publication | Engineering Crystalline Architecture with Supramolecular Tapes: Studies on Secondary Donor−Acceptor Interactions in Cocrystals of the Cyclic Dipeptide of Glycine |
Authors of publication | Luo, Tzy-Jiun M.; Palmore, G. Tayhas R. |
Journal of publication | Crystal Growth & Design |
Year of publication | 2002 |
Journal volume | 2 |
Journal issue | 5 |
Pages of publication | 337 |
a | 5.9359 ± 0.0009 Å |
b | 6.5936 ± 0.0009 Å |
c | 7.3042 ± 0.001 Å |
α | 109.262 ± 0.003° |
β | 90.762 ± 0.003° |
γ | 116.527 ± 0.002° |
Cell volume | 237.06 ± 0.06 Å3 |
Cell temperature | 90 ± 2 K |
Ambient diffraction temperature | 90 ± 2 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 | 0.0452 |
Residual factor for significantly intense reflections | 0.041 |
Weighted residual factors for significantly intense reflections | 0.1123 |
Weighted residual factors for all reflections included in the refinement | 0.1153 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.13 |
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/4505816.html
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