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Information card for entry 2226777
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| Coordinates | 2226777.cif |
|---|---|
| Structure factors | 2226777.hkl |
| Original IUCr paper | HTML |
| External links | ChemSpider; PubChem |
| Common name | 14-Deoxyxyloccensin K |
|---|---|
| Formula | C27 H34 O7 |
| Calculated formula | C27 H34 O7 |
| SMILES | o1cc(cc1)[C@@H]1OC(=O)C[C@@H]2[C@@]1(C)CC[C@H]1[C@@]32O[C@@H]2[C@H](C3)C(=O)[C@]1([C@H](C2(C)C)CC(=O)OC)C |
| Title of publication | 14-Deoxyxyloccensin K from <i>Chisocheton ceramicus</i> (Meliaceae) |
| Authors of publication | Najmuldeen, Ibrahim A.; Abdul Hadi, Abdul Hamid; Awang, Khalijah; Mohamad, Khalit; Ng, Seik Weng |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2010 |
| Journal volume | 66 |
| Journal issue | 8 |
| Pages of publication | o1927 |
| a | 8.7174 ± 0.0006 Å |
| b | 11.7401 ± 0.0008 Å |
| c | 23.1106 ± 0.0016 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2365.2 ± 0.3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0487 |
| Residual factor for significantly intense reflections | 0.0382 |
| Weighted residual factors for significantly intense reflections | 0.092 |
| Weighted residual factors for all reflections included in the refinement | 0.0976 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.034 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301805 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 2/22 Each referenced PubChem compound corresponds to the full crystal structure. |
2226777.cif 2226777.hkl |
| 201978 | 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. |
2226777.cif 2226777.hkl |
| 181188 | 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. |
2226777.cif 2226777.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. |
2226777.cif 2226777.hkl |
| 132410 | 2015-02-25 | cod/ (robertas@burundukas) Replaced zero-length value of the tag '_chemical_name_systematic' with '?'. codsql 'select file, chemname from data \ where length(chemname) = 0' -NB \ | perl -ne 'print $1."\n" if /\b(\d{7})\s*$/' \ | codid2file \ | xargs perl -0777 -i -pe 's/\b_chemical_name_systematic \K \s*? ( \n ; \s*? \n ; | '\'' \s* '\'' \s*? ) (?=\n) /" " x8 . "?"/ixmse' |
2226777.cif 2226777.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2226777.cif 2226777.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. | 2226777.cif 2226777.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2226777.cif 2226777.hkl |
| 1704 | 2010-11-03 | hkl/2/ Adding Fobs files for the recently deposited IUCr data. |
2226777.cif 2226777.hkl |
| 1553 | 2010-10-08 | cif/2/ Adding data from Acta-Cryst-E-2010_08/. |
2226777.cif |
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Users of the data should acknowledge the original authors of the
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