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Information card for entry 2233158
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| Coordinates | 2233158.cif |
|---|---|
| Structure factors | 2233158.hkl |
| Original IUCr paper | HTML |
| Chemical name | 6,6'-Di-<i>tert</i>-butyl-4,4'-dimethoxy-2,2'-[1,3-diazinane-1,3- diylbis(methylene)]diphenol 0.19-hydrate |
|---|---|
| Formula | C28 H42.38 N2 O4.19 |
| Calculated formula | C28 H42.37 N2 O4.185 |
| Title of publication | 6,6'-Di-<i>tert</i>-butyl-4,4'-dimethoxy-2,2'-[1,3-diazinane-1,3-diylbis(methylene)]diphenol 0.19-hydrate |
| Authors of publication | Rivera, Augusto; González, Derly Marcela; Ríos-Motta, Jaime; Fejfarová, Karla; Dušek, Michal |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 1 |
| Pages of publication | o191 - o192 |
| a | 8.2265 ± 0.0001 Å |
| b | 33.0103 ± 0.0002 Å |
| c | 10.0322 ± 0.0005 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2724.34 ± 0.14 Å3 |
| Cell temperature | 119.9 ± 0.2 K |
| Ambient diffraction temperature | 120 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 | 0.0363 |
| Residual factor for significantly intense reflections | 0.035 |
| Weighted residual factors for significantly intense reflections | 0.1205 |
| Weighted residual factors for all reflections included in the refinement | 0.1219 |
| Goodness-of-fit parameter for all reflections included in the refinement | 2.64 |
| Diffraction radiation wavelength | 1.5418 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 194389 (current) | 2017-03-21 | cif/ (antanas@echidna.ibt.lt) Marking attached hydrogen atoms in entries 2205087, 2201825, 2201855, 2206148, 2202557, 2203378, 2203517, 2207290, 2203877, 2207687, 2200387, 2200723, 2200867, 2208936, 2218189, 2218199, 2215973, 2215978, 2216941, 2229317, 2223399, 2233158, 2233719, 2233993, 2238223, 2238544, 2241604, 2241873. |
2233158.cif 2233158.hkl |
| 181253 | 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 2/23/31. |
2233158.cif 2233158.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. |
2233158.cif 2233158.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2233158.cif 2233158.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. | 2233158.cif 2233158.hkl |
| 34292 | 2012-02-14 | hkl/ Adding Fobs data for the recently deposited IUCr structures. |
2233158.cif 2233158.hkl |
| 32217 | 2012-02-08 | ../uploads/cif-deposit/cod/cif Adding structures of 2233158 via cif-deposit CGI script. |
2233158.cif |
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