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Information card for entry 2017844
Preview
| Coordinates | 2017844.cif |
|---|---|
| Structure factors | 2017844.hkl |
| Original IUCr paper | HTML |
| Common name | 6,6'-dimethoxygossypolone |
|---|---|
| Chemical name | 7,7'-dihydroxy-5,5'-diisopropyl-6,6'-dimethoxy-3,3'-dimethyl- 1,1',4,4'-tetraoxo-2,2'-binaphthalene-8,8'-dicarbaldehyde |
| Formula | C32 H30 O10 |
| Calculated formula | C32 H30 O10 |
| SMILES | O=Cc1c2C(=O)C(=C(C(=O)c2c(c(c1O)OC)C(C)C)C)C1=C(C)C(=O)c2c(C1=O)c(C=O)c(c(c2C(C)C)OC)O |
| Title of publication | 6,6'-Dimethoxygossypolone |
| Authors of publication | Zelaya, Carlos A.; Stevens, Edwin D.; Dowd, Michael K. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2010 |
| Journal volume | 66 |
| Journal issue | 10 |
| Pages of publication | o517 - o520 |
| a | 17.8278 ± 0.001 Å |
| b | 26.2103 ± 0.0016 Å |
| c | 12.2116 ± 0.0007 Å |
| α | 90° |
| β | 108.069 ± 0.001° |
| γ | 90° |
| Cell volume | 5424.7 ± 0.5 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0573 |
| Residual factor for significantly intense reflections | 0.0446 |
| Weighted residual factors for significantly intense reflections | 0.1184 |
| Weighted residual factors for all reflections included in the refinement | 0.1271 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.088 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180847 (current) | 2016-04-02 | cif/2/01/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01/78. |
2017844.cif 2017844.hkl |
| 176760 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01. |
2017844.cif 2017844.hkl |
| 125873 | 2014-10-25 | cod/ (saulius@koala.ibt.lt) Adding DOIs to 1887 Acta Cryst. CIFs, their DOIs fetched using ACCE codes. |
2017844.cif 2017844.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. | 2017844.cif 2017844.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2017844.cif 2017844.hkl |
| 5269 | 2010-12-22 | hkl/ Adding Fobs data for the recent IUCr-published structres. |
2017844.cif 2017844.hkl |
| 4152 | 2010-12-16 | ../uploads/cif-deposit/cod/cif Adding structures of 2017844 via cif-deposit CGI script. |
2017844.cif |
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Users of the data should acknowledge the original authors of the
structural data.