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Information card for entry 2018409
Preview
| Coordinates | 2018409.cif |
|---|---|
| Structure factors | 2018409.hkl |
| Original IUCr paper | HTML |
| Chemical name | Trimethylurea |
|---|---|
| Formula | C4 H10 N2 O |
| Calculated formula | C4 H10 N2 O |
| Title of publication | Trimethylurea |
| Authors of publication | Döring, Cindy; Taouss, Christina; Jones, Peter G. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 3 |
| Pages of publication | o108 - o110 |
| a | 20.5281 ± 0.0015 Å |
| b | 8.1474 ± 0.0003 Å |
| c | 9.9637 ± 0.0004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1666.44 ± 0.15 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 36 |
| Hermann-Mauguin space group symbol | C m c 21 |
| Hall space group symbol | C 2c -2 |
| Residual factor for all reflections | 0.0325 |
| Residual factor for significantly intense reflections | 0.0312 |
| Weighted residual factors for significantly intense reflections | 0.0864 |
| Weighted residual factors for all reflections included in the refinement | 0.0874 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.075 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180853 (current) | 2016-04-02 | cif/2/01/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01/84. |
2018409.cif 2018409.hkl |
| 176760 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01. |
2018409.cif 2018409.hkl |
| 125873 | 2014-10-25 | cod/ (saulius@koala.ibt.lt) Adding DOIs to 1887 Acta Cryst. CIFs, their DOIs fetched using ACCE codes. |
2018409.cif 2018409.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. | 2018409.cif 2018409.hkl |
| 66590 | 2012-09-11 | hkl/ Adding assigned .htl files for the most recent IUCr data depositions. |
2018409.cif 2018409.hkl |
| 51025 | 2012-04-03 | ../uploads/cif-deposit/cod/cif Adding structures of 2018409 via cif-deposit CGI script. |
2018409.cif |
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Users of the data should acknowledge the original authors of the
structural data.