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Information card for entry 2239030
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| Coordinates | 2239030.cif |
|---|---|
| Structure factors | 2239030.hkl |
| Original paper (by DOI) | HTML |
| Common name | 1-aminocyclobutane carboxylic acid monohydrate |
|---|---|
| Chemical name | 1-Azaniumylcyclobutane-1-carboxylate monohydrate |
| Formula | C5 H11 N O3 |
| Calculated formula | C5 H11 N O3 |
| Title of publication | 1-Azaniumylcyclobutane-1-carboxylate monohydrate |
| Authors of publication | Butcher, Ray J.; Brewer, Greg; Burton, Aaron S.; Dworkin, Jason P. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 2 |
| Pages of publication | o217 - o218 |
| a | 10.25082 ± 0.00019 Å |
| b | 6.13117 ± 0.00009 Å |
| c | 10.9209 ± 0.0002 Å |
| α | 90° |
| β | 100.873 ± 0.0018° |
| γ | 90° |
| Cell volume | 674.05 ± 0.02 Å3 |
| Cell temperature | 123 ± 2 K |
| Ambient diffraction temperature | 123 ± 2 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 | 0.0388 |
| Residual factor for significantly intense reflections | 0.0382 |
| Weighted residual factors for significantly intense reflections | 0.1021 |
| Weighted residual factors for all reflections included in the refinement | 0.1028 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.062 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181890 (current) | 2016-04-06 | hkl/2/23/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/23/90. |
2239030.cif 2239030.hkl |
| 181309 | 2016-04-03 | hkl/2/23/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23/90. |
2239030.cif 2239030.hkl |
| 176798 | 2016-02-21 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23. |
2239030.cif 2239030.hkl |
| 104864 | 2014-03-11 | cif/ hkl/ Adding structures of 2239030 via cif-deposit CGI script. |
2239030.cif 2239030.hkl |
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Users of the data should acknowledge the original authors of the
structural data.