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Information card for entry 2228456
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| Coordinates | 2228456.cif |
|---|---|
| Structure factors | 2228456.hkl |
| Original IUCr paper | HTML |
| External links | ChemSpider |
| Common name | ?-mangostin |
|---|---|
| Chemical name | 1,3,6-Trihydroxy-7-methoxy-2,8-bis(3-methylbut-2-enyl)-9<i>H</i>-xanthen-9-one |
| Formula | C24 H26 O6 |
| Calculated formula | C24 H26 O6 |
| SMILES | O1c2c(C(=O)c3c1cc(O)c(c3CC=C(C)C)OC)c(O)c(CC=C(C)C)c(c2)O |
| Title of publication | 1,3,6-Trihydroxy-7-methoxy-2,8-bis(3-methylbut-2-enyl)-9<i>H</i>-xanthen-9-one |
| Authors of publication | Ee, Gwendoline Cheng Lian; Sim, Wei Chung; Kwong, Huey Chong; Mohamed Tahir, Mohamed Ibrahim; Silong, Sidik |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2010 |
| Journal volume | 66 |
| Journal issue | 12 |
| Pages of publication | o3362 - o3363 |
| a | 14.6818 ± 0.0003 Å |
| b | 9.53505 ± 0.00019 Å |
| c | 29.8893 ± 0.0006 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 4184.25 ± 0.15 Å3 |
| Cell temperature | 150 K |
| Ambient diffraction temperature | 150 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 | 0.0587 |
| Residual factor for significantly intense reflections | 0.0406 |
| Weighted residual factors for all reflections | 0.113 |
| Weighted residual factors for significantly intense reflections | 0.1064 |
| Weighted residual factors for all reflections included in the refinement | 0.113 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.8745 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| 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. |
2228456.cif 2228456.hkl |
| 181205 | 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 2/22/84. |
2228456.cif 2228456.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. |
2228456.cif 2228456.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2228456.cif 2228456.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. | 2228456.cif 2228456.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2228456.cif 2228456.hkl |
| 11387 | 2011-02-15 | hkl/: Adding Reflection data for the recently deposited IUCr-originating structures. | 2228456.cif 2228456.hkl |
| 5789 | 2011-01-06 | ../uploads/cif-deposit/cod/cif Adding structures of 2228452, 2228453, 2228454, 2228455, 2228456, 2228457, 2228458, 2228459, 2228460, 2228461 via cif-deposit CGI script. |
2228456.cif |
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Users of the data should acknowledge the original authors of the
structural data.