Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2233243
Preview
| Coordinates | 2233243.cif |
|---|---|
| Structure factors | 2233243.hkl |
| Original IUCr paper | HTML |
| External links | ChemSpider |
| Chemical name | 10α-Hydroxy-4,9-dimethyl-13-(morpholin-4-ylmethyl)-3,8,15- trioxatetracyclo[10.3.0.0^2,4^.0^7,9^]pentadecan-14-one |
|---|---|
| Formula | C19 H29 N O6 |
| Calculated formula | C19 H29 N O6 |
| SMILES | [C@H]12[C@H]3[C@@](CC[C@H]4[C@@]([C@H](C[C@@H]1[C@H](C(=O)O2)CN1CCOCC1)O)(C)O4)(C)O3 |
| Title of publication | 10α-Hydroxy-4,9-dimethyl-13-(morpholin-4-ylmethyl)-3,8,15-trioxatetracyclo[10.3.0.0^2,4^.0^7,9^]pentadecan-14-one |
| Authors of publication | Moumou, Mohamed; Benharref, Ahmed; Oudahmane, Abdelghani; Mellouki, Fouad; Berraho, Moha |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 1 |
| Pages of publication | o167 - o168 |
| a | 11.6772 ± 0.0009 Å |
| b | 6.9524 ± 0.0004 Å |
| c | 11.8244 ± 0.0009 Å |
| α | 90° |
| β | 102.16 ± 0.002° |
| γ | 90° |
| Cell volume | 938.42 ± 0.12 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0578 |
| Residual factor for significantly intense reflections | 0.0435 |
| Weighted residual factors for significantly intense reflections | 0.1014 |
| Weighted residual factors for all reflections included in the refinement | 0.1101 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.065 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 201979 (current) | 2017-10-13 | cif/2/ Marking COD entries in range 2/23 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
2233243.cif 2233243.hkl |
| 181254 | 2016-04-03 | hkl/2/23/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23/32. |
2233243.cif 2233243.hkl |
| 176798 | 2016-02-21 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23. |
2233243.cif 2233243.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2233243.cif 2233243.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. | 2233243.cif 2233243.hkl |
| 34292 | 2012-02-14 | hkl/ Adding Fobs data for the recently deposited IUCr structures. |
2233243.cif 2233243.hkl |
| 32304 | 2012-02-08 | ../uploads/cif-deposit/cod/cif Adding structures of 2233243 via cif-deposit CGI script. |
2233243.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.