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Information card for entry 2238236
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| Coordinates | 2238236.cif |
|---|---|
| Structure factors | 2238236.hkl |
| Original IUCr paper | HTML |
| Chemical name | (1<i>R</i>*,21<i>S</i>*,22<i>R</i>*,24<i>S</i>*)-Methyl ethyl 2-[23-hydroxy-22,24-diphenyl-8,11,14-trioxa-25-azatetracyclo[19.3.1.0^2,7^.0^15,20^]pentacosa-2,4,6,15(20),16,18-hexaen-25-yl]but-2-enedioate |
|---|---|
| Formula | C40 H41 N O8 |
| Calculated formula | C40 H41 N O8 |
| Title of publication | (1<i>R</i>*,21<i>S</i>*,22<i>R</i>*,24<i>S</i>*)-Methyl ethyl 2-[23-hydroxy-22,24-diphenyl-8,11,14-trioxa-25-azatetracyclo[19.3.1.0^2,7^.0^15,20^]pentacosa-2,4,6,15(20),16,18-hexaen-25-yl]but-2-enedioate |
| Authors of publication | Hieu, Truong Hong; Anh, Le Tuan; Soldatenkov, Anatoly T.; Gorchakova, Olga S.; Khrustalev, Victor N. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | 7 |
| Pages of publication | o1023 - o1024 |
| a | 11.6594 ± 0.0004 Å |
| b | 19.3088 ± 0.0006 Å |
| c | 15.8522 ± 0.0005 Å |
| α | 90° |
| β | 108.887 ± 0.001° |
| γ | 90° |
| Cell volume | 3376.64 ± 0.19 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0779 |
| Residual factor for significantly intense reflections | 0.0482 |
| Weighted residual factors for significantly intense reflections | 0.1238 |
| Weighted residual factors for all reflections included in the refinement | 0.1355 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181304 (current) | 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 2/23/82. |
2238236.cif 2238236.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. |
2238236.cif 2238236.hkl |
| 88055 | 2013-08-28 | cod/cif/ (saulius@koala.ibt.lt) Adding the _cod_database_fobs_code links for those COD CIFs that have their Fobs deposited recently. |
2238236.cif 2238236.hkl |
| 88054 | 2013-08-28 | cod/hkl/ (saulius@koala.ibt.lt) Adding Fobs files for the recently deposited IUCr coordinate data. |
2238236.cif 2238236.hkl |
| 87491 | 2013-08-27 | cif/ Adding structures of 2238236 via cif-deposit CGI script. |
2238236.cif |
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