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Information card for entry 7211935
Preview
Coordinates | 7211935.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | Suberic acid & 2-methylimidazole |
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Chemical name | Suberic acid & 2-methylimidazole |
Formula | C12 H20 N2 O4 |
Calculated formula | C12 H20 N2 O4 |
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 | 7.3683 ± 0.0004 Å |
b | 9.0497 ± 0.0003 Å |
c | 10.7486 ± 0.0005 Å |
α | 76.546 ± 0.003° |
β | 80.396 ± 0.002° |
γ | 76.933 ± 0.003° |
Cell volume | 674.05 ± 0.05 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 | 0.1074 |
Residual factor for significantly intense reflections | 0.0574 |
Weighted residual factors for significantly intense reflections | 0.1098 |
Weighted residual factors for all reflections included in the refinement | 0.1281 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.035 |
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/7211935.html
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Users of the data should acknowledge the original authors of the
structural data.