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Information card for entry 2233993
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| Coordinates | 2233993.cif |
|---|---|
| Structure factors | 2233993.hkl |
| Original IUCr paper | HTML |
| Chemical name | Erythromycin A dimethyl sulfoxide disolvate 1.43-hydrate |
|---|---|
| Formula | C41 H81.86 N O16.43 S2 |
| Calculated formula | C41 H81.864 N O16.432 S2 |
| Title of publication | Erythromycin A dimethyl sulfoxide disolvate 1.43-hydrate |
| Authors of publication | Brüning, Jürgen; Trepte, Tanja K.; Bats, Jan W.; Schmidt, Martin U. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 3 |
| Pages of publication | o700 - o701 |
| a | 11.1716 ± 0.0007 Å |
| b | 19.4025 ± 0.0012 Å |
| c | 12.0025 ± 0.0007 Å |
| α | 90° |
| β | 106.245 ± 0.001° |
| γ | 90° |
| Cell volume | 2497.8 ± 0.3 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.099 |
| Residual factor for significantly intense reflections | 0.0621 |
| Weighted residual factors for significantly intense reflections | 0.1269 |
| Weighted residual factors for all reflections included in the refinement | 0.1422 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.039 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| 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. |
2233993.cif 2233993.hkl |
| 181261 | 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 2/23/39. |
2233993.cif 2233993.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. |
2233993.cif 2233993.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2233993.cif 2233993.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. | 2233993.cif 2233993.hkl |
| 66590 | 2012-09-11 | hkl/ Adding assigned .htl files for the most recent IUCr data depositions. |
2233993.cif 2233993.hkl |
| 51253 | 2012-04-03 | ../uploads/cif-deposit/cod/cif Adding structures of 2233993 via cif-deposit CGI script. |
2233993.cif |
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Users of the data should acknowledge the original authors of the
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