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Information card for entry 2228448
Preview
| Coordinates | 2228448.cif |
|---|---|
| Structure factors | 2228448.hkl |
| Original IUCr paper | HTML |
| External links | ChemSpider |
| Common name | Artonol B |
|---|---|
| Chemical name | 12-Acetyl-6-hydroxy-3,3,9,9-tetramethylfuro[3,4-<i>b</i>]pyrano[3,2- <i>h</i>]xanthene-7,11(3<i>H</i>,9<i>H</i>)-dione |
| Formula | C24 H20 O7 |
| Calculated formula | C24 H20 O7 |
| SMILES | O1c2c(C(=O)c3c1c(c1c(c3)C(OC1=O)(C)C)C(=O)C)c(O)cc1c2C=CC(O1)(C)C |
| Title of publication | 12-Acetyl-6-hydroxy-3,3,9,9-tetramethylfuro[3,4-<i>b</i>]pyrano[3,2-<i>h</i>]xanthene-7,11(3<i>H</i>,9<i>H</i>)-dione |
| Authors of publication | Ee, Gwendoline Cheng Lian; Teo, Siow Hwa; 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 | o3331 - o3332 |
| a | 36.511 ± 0.002 Å |
| b | 5.3275 ± 0.0002 Å |
| c | 20.0218 ± 0.0008 Å |
| α | 90° |
| β | 96.318 ± 0.005° |
| γ | 90° |
| Cell volume | 3870.8 ± 0.3 Å3 |
| Cell temperature | 150 K |
| Ambient diffraction temperature | 150 K |
| Number of distinct elements | 3 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0425 |
| Residual factor for significantly intense reflections | 0.0388 |
| Weighted residual factors for all reflections | 0.1102 |
| Weighted residual factors for significantly intense reflections | 0.1082 |
| Weighted residual factors for all reflections included in the refinement | 0.1102 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.991 |
| 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. |
2228448.cif 2228448.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. |
2228448.cif 2228448.hkl |
| 176432 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
2228448.cif 2228448.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2228448.cif 2228448.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. | 2228448.cif 2228448.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2228448.cif 2228448.hkl |
| 11387 | 2011-02-15 | hkl/: Adding Reflection data for the recently deposited IUCr-originating structures. | 2228448.cif 2228448.hkl |
| 5788 | 2011-01-06 | ../uploads/cif-deposit/cod/cif Adding structures of 2228442, 2228443, 2228444, 2228445, 2228446, 2228447, 2228448, 2228449, 2228450, 2228451 via cif-deposit CGI script. |
2228448.cif |
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