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Information card for entry 2004005
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Coordinates | 2004005.cif |
---|---|
Original IUCr paper | HTML |
Common name | DL- PROLINE MONOHYDRATE |
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Chemical name | DL- PROLINE MONOHYDRATE |
Formula | C5 H11 N O3 |
Calculated formula | C5 H11 N O3 |
SMILES | O=C([O-])C1[NH2+]CCC1.O |
Title of publication | <small>DL</small>-Proline Monohydrate |
Authors of publication | Padmanabhan, S.; Suresh, S.; Vijayan, M. |
Journal of publication | Acta Crystallographica Section C |
Year of publication | 1995 |
Journal volume | 51 |
Journal issue | 10 |
Pages of publication | 2098 - 2100 |
a | 5.274 ± 0.001 Å |
b | 12.087 ± 0.001 Å |
c | 20.053 ± 0.002 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1278.3 ± 0.3 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 4 |
Space group number | 61 |
Hermann-Mauguin space group symbol | P b c a |
Hall space group symbol | -P 2ac 2ab |
Residual factor for all reflections | 0.0475 |
Residual factor for significantly intense reflections | 0.0391 |
Weighted residual factors for all reflections | 0.1107 |
Weighted residual factors for significantly intense reflections | 0.1066 |
Goodness-of-fit parameter for all reflections | 1.049 |
Goodness-of-fit parameter for significantly intense reflections | 1.098 |
Diffraction radiation wavelength | 0.71068 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/2004005.html
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