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Information card for entry 2227138
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| Coordinates | 2227138.cif |
|---|---|
| Structure factors | 2227138.hkl |
| Original IUCr paper | HTML |
| External links | ChemSpider |
| Common name | Epoxycytochalasin H |
|---|---|
| Chemical name | 21-acetoxy-18,21-dihydroxy-5,6,16,18-tetramethyl-10-phenyl-6,7- epoxy-[11]cytochalasa-13,19-dien-1-one methanol solvate |
| Formula | C31 H43 N O6 |
| Calculated formula | C31 H43 N O6 |
| SMILES | O1[C@@]2([C@H]([C@H]3[C@@H](NC(=O)[C@]43[C@H]([C@H]12)C=CC[C@@H](C[C@@](O)(C=C[C@H]4OC(=O)C)C)C)Cc1ccccc1)C)C.OC |
| Title of publication | Epoxycytochalasin H methanol solvate |
| Authors of publication | Li, Li-mei; Liu, Yang; Yang, Tai; Yu, Kai-bei; Zou, Qiang |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2010 |
| Journal volume | 66 |
| Journal issue | 8 |
| Pages of publication | o2176 - o2177 |
| a | 8.367 ± 0.002 Å |
| b | 8.5937 ± 0.0018 Å |
| c | 10.917 ± 0.003 Å |
| α | 75.312 ± 0.009° |
| β | 87.779 ± 0.01° |
| γ | 68.15 ± 0.008° |
| Cell volume | 703.4 ± 0.3 Å3 |
| Cell temperature | 93 ± 2 K |
| Ambient diffraction temperature | 93 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 1 |
| Hermann-Mauguin space group symbol | P 1 |
| Hall space group symbol | P 1 |
| Residual factor for all reflections | 0.0317 |
| Residual factor for significantly intense reflections | 0.0298 |
| Weighted residual factors for significantly intense reflections | 0.0692 |
| Weighted residual factors for all reflections included in the refinement | 0.0703 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.997 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 201978 (current) | 2017-10-13 | cif/2/ Marking COD entries in range 2/22 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
2227138.cif 2227138.hkl |
| 181192 | 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 2/22/71. |
2227138.cif 2227138.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. |
2227138.cif 2227138.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2227138.cif 2227138.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. | 2227138.cif 2227138.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2227138.cif 2227138.hkl |
| 1704 | 2010-11-03 | hkl/2/ Adding Fobs files for the recently deposited IUCr data. |
2227138.cif 2227138.hkl |
| 1553 | 2010-10-08 | cif/2/ Adding data from Acta-Cryst-E-2010_08/. |
2227138.cif |
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