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Information card for entry 2240408
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| Coordinates | 2240408.cif |
|---|---|
| Structure factors | 2240408.hkl |
| Original IUCr paper | HTML |
| Common name | Gossypol hemiacetal tetramethyl ether |
|---|---|
| Chemical name | 5,5'-Diisopropyl-2,2',3,3'-tetramethoxy-7,7'-dimethyl-2<i>H</i>,2'<i>H</i>-8,8'-bi[naphtho[1,8-<i>bc</i>]furan]-4,4'-diol |
| Formula | C34 H38 O8 |
| Calculated formula | C34 H38 O8 |
| SMILES | c12c(c(cc3c(c(c(c(c13)[C@@H](O2)OC)OC)O)C(C)C)C)c1c2c3c(c(c(c(c3cc1C)C(C)C)O)OC)[C@@H](O2)OC.c12c(c(cc3c(c(c(c(c13)[C@H](O2)OC)OC)O)C(C)C)C)c1c2c3c(c(c(c(c3cc1C)C(C)C)O)OC)[C@H](O2)OC |
| Title of publication | Molecular and crystal structure of gossypol tetramethyl ether with an unknown solvate |
| Authors of publication | Honkeldieva, Muhabbat; Talipov, Samat; Mardanov, Rustam; Ibragimov, Bakhtiyar |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 2 |
| Pages of publication | 184 - 187 |
| a | 19.7086 ± 0.0005 Å |
| b | 20.3099 ± 0.0007 Å |
| c | 8.8443 ± 0.0004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3540.2 ± 0.2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 60 |
| Hermann-Mauguin space group symbol | P b c n |
| Hall space group symbol | -P 2n 2ab |
| Residual factor for all reflections | 0.1004 |
| Residual factor for significantly intense reflections | 0.056 |
| Weighted residual factors for significantly intense reflections | 0.1426 |
| Weighted residual factors for all reflections included in the refinement | 0.1618 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.928 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181904 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/04 |
2240408.cif 2240408.hkl |
| 181324 | 2016-04-03 | hkl/2/24/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/24/04. |
2240408.cif 2240408.hkl |
| 176809 | 2016-02-21 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 2. |
2240408.cif 2240408.hkl |
| 130068 | 2015-01-23 | cif/ hkl/ Adding structures of 2240408 via cif-deposit CGI script. |
2240408.cif 2240408.hkl |
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Users of the data should acknowledge the original authors of the
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