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Information card for entry 8102108
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| Coordinates | 8102108.cif |
|---|
| Formula | C3 H5 N3 O |
|---|---|
| Calculated formula | C1.5 H2.5 N1.5 O0.5 |
| Title of publication | Crystal structure of 2-amino-5-methyl-1,3,4-oxadiazole, (CH~3~)C~2~N~2~O (NH~2~) |
| Authors of publication | Irrgang, T.; Friedrich, D.; Clemente, R.; Kutlescha, K.; Glatz, G.; Kempe, R. |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2007 |
| Journal volume | 222 |
| Journal issue | 2 |
| Pages of publication | 151 - 152 |
| a | 6.002 ± 0.0009 Å |
| b | 6.357 ± 0.0011 Å |
| c | 12.288 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 468.85 ± 0.13 Å3 |
| Cell temperature | 191 ± 2 K |
| Ambient diffraction temperature | 191 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 62 |
| Hermann-Mauguin space group symbol | P n m a |
| Hall space group symbol | -P 2ac 2n |
| Residual factor for all reflections | 0.0578 |
| Residual factor for significantly intense reflections | 0.0543 |
| Weighted residual factors for significantly intense reflections | 0.19 |
| Weighted residual factors for all reflections included in the refinement | 0.1931 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.175 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 211175 (current) | 2018-09-26 | cif/ Removing _chemical_name_systematic and _chemical_name_common data items with placeholder values from 513 entries in range 8. |
8102108.cif |
| 176728 | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 8. |
8102108.cif |
| 108257 | 2014-03-29 | cif/8/ (antanas@lokys.ibt.lt) Adding and updating bibliographic information: volume, authors, issue, first page, last page. |
8102108.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
8102108.cif |
| 12847 | 2011-03-06 | ../uploads/cif-deposit/cod/cif Adding structures of 8102108 via cif-deposit CGI script. |
8102108.cif |
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Users of the data should acknowledge the original authors of the
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