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Information card for entry 7211944
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Coordinates | 7211944.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | Malonic acid & imidazole |
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Chemical name | Malonic acid & imidazole |
Formula | C15 H20 N6 O8 |
Calculated formula | C15 H20 N6 O8 |
Title of publication | A systematic study of the crystallisation products of a series of dicarboxylic acids with imidazole derivatives |
Authors of publication | Callear, Samantha K.; Hursthouse, Michael B.; Threlfall, Terence L. |
Journal of publication | CrystEngComm |
Year of publication | 2010 |
Journal volume | 12 |
Journal issue | 3 |
Pages of publication | 898 |
a | 6.998 ± 0.0003 Å |
b | 8.379 ± 0.0003 Å |
c | 9.25 ± 0.0003 Å |
α | 116.302 ± 0.002° |
β | 101.825 ± 0.002° |
γ | 91.149 ± 0.002° |
Cell volume | 472.1 ± 0.03 Å3 |
Cell temperature | 120 ± 2 K |
Ambient diffraction temperature | 120 ± 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 | 0.0615 |
Residual factor for significantly intense reflections | 0.0433 |
Weighted residual factors for significantly intense reflections | 0.0972 |
Weighted residual factors for all reflections included in the refinement | 0.1081 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.022 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7211944.html
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