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Information card for entry 2225630
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| Coordinates | 2225630.cif |
|---|---|
| Structure factors | 2225630.hkl |
| Original IUCr paper | HTML |
| Common name | alaptide |
|---|---|
| Chemical name | (8<i>S</i>)-8-methyl-6,9-diazaspiro[4.5]decane-7,10-dione |
| Formula | C9 H14 N2 O2 |
| Calculated formula | C9 H14 N2 O2 |
| SMILES | C[C@@H]1NC(=O)C2(NC1=O)CCCC2 |
| Title of publication | Alaptide from synchrotron powder diffraction data |
| Authors of publication | Rohlíček, Jan; Maixner, Jaroslav; Pažout, Richard; Hušák, Michal; Cibulková, Jana; Kratochvíl, Bohumil |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2010 |
| Journal volume | 66 |
| Journal issue | 4 |
| Pages of publication | o821 |
| a | 21.14118 ± 0.00007 Å |
| b | 7.22207 ± 0.00002 Å |
| c | 6.1461 ± 0.00003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 938.405 ± 0.006 Å3 |
| Cell temperature | 293 K |
| Ambient diffraction temperature | 293 K |
| Cell measurement pressure | 101 kPa |
| Number of distinct elements | 4 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Goodness-of-fit parameter for all reflections | 3.9 |
| Method of determination | powder diffraction |
| Diffraction radiation wavelength | 0.79984 Å |
| Diffraction radiation type | synchrotron |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181177 (current) | 2016-04-03 | hkl/2/22/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22/56. |
2225630.cif 2225630.hkl |
| 176789 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22. |
2225630.cif 2225630.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2225630.cif 2225630.hkl |
| 88064 | 2013-08-29 | Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet. | 2225630.cif 2225630.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2225630.cif 2225630.hkl |
| 5310 | 2011-01-02 | cif/ Running cif_fix_enum with the core CIF dictionary on COD ranges 2, 8 and 9. Range 9 remained unchanged, and in ranges 2 and 8 there were 17309 modified files, most changes were fixes enumerator case. |
2225630.cif 2225630.hkl |
| 1157 | 2010-05-06 | hkl/ Adding Fobs data for the recent IUCr deposition. |
2225630.cif 2225630.hkl |
| 1144 | 2010-05-03 | cif/2/ Adding CIFs from Acta-Cryst-E-2010_04/ deposition. |
2225630.cif |
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Users of the data should acknowledge the original authors of the
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