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Information card for entry 2226788
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| Coordinates | 2226788.cif |
|---|---|
| Structure factors | 2226788.hkl |
| Original IUCr paper | HTML |
| Common name | Brasilixanthone |
|---|---|
| Chemical name | 5,13-dihydroxy-3,3,10,10-tetramethyl-3<i>H</i>- dipyrano[3,2-<i>a</i>:2',3'-<i>i</i>]xanthen-14(10<i>H</i>)-one |
| Formula | C23 H20 O6 |
| Calculated formula | C23 H20 O6 |
| SMILES | Oc1cc2Oc3cc4OC(C)(C)C=Cc4c(c3C(=O)c2c2c1OC(C)(C)C=C2)O |
| Title of publication | Brasilixanthone |
| Authors of publication | Chantrapromma, Suchada; Boonnak, Nawong; Fun, Hoong-Kun; Karalai, Chatchanok; Chantrapromma, Kan |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2010 |
| Journal volume | 66 |
| Journal issue | 8 |
| Pages of publication | o2066 - o2067 |
| a | 7.5842 ± 0.0003 Å |
| b | 12.2937 ± 0.0004 Å |
| c | 19.6023 ± 0.0006 Å |
| α | 90° |
| β | 96.827 ± 0.002° |
| γ | 90° |
| Cell volume | 1814.72 ± 0.11 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 3 |
| Space group number | 7 |
| Hermann-Mauguin space group symbol | P 1 c 1 |
| Hall space group symbol | P -2yc |
| Residual factor for all reflections | 0.1162 |
| Residual factor for significantly intense reflections | 0.1026 |
| Weighted residual factors for significantly intense reflections | 0.2548 |
| Weighted residual factors for all reflections included in the refinement | 0.2702 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.041 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181188 (current) | 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 2/22/67. |
2226788.cif 2226788.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. |
2226788.cif 2226788.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2226788.cif 2226788.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. | 2226788.cif 2226788.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2226788.cif 2226788.hkl |
| 1704 | 2010-11-03 | hkl/2/ Adding Fobs files for the recently deposited IUCr data. |
2226788.cif 2226788.hkl |
| 1553 | 2010-10-08 | cif/2/ Adding data from Acta-Cryst-E-2010_08/. |
2226788.cif |
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Users of the data should acknowledge the original authors of the
structural data.