Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2228520
Preview
| Coordinates | 2228520.cif |
|---|---|
| Structure factors | 2228520.hkl |
| Original IUCr paper | HTML |
| External links | ChemSpider |
| Common name | Trimethoxydibenzofuran-ol |
|---|---|
| Chemical name | 1,2,4-Trimethoxydibenzo[<i>b</i>,<i>d</i>]furan-3-ol |
| Formula | C15 H14 O5 |
| Calculated formula | C15 H14 O5 |
| SMILES | o1c2ccccc2c2c1c(OC)c(O)c(OC)c2OC |
| Title of publication | 1,2,4-Trimethoxydibenzo[<i>b</i>,<i>d</i>]furan-3-ol |
| Authors of publication | Yousuf, S.; Latif, A.; Arfan, M.; Choudhary, M. I. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2010 |
| Journal volume | 66 |
| Journal issue | 12 |
| Pages of publication | o3066 |
| a | 10.422 ± 0.003 Å |
| b | 9.075 ± 0.003 Å |
| c | 15.007 ± 0.004 Å |
| α | 90° |
| β | 106.378 ± 0.007° |
| γ | 90° |
| Cell volume | 1361.8 ± 0.7 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.083 |
| Residual factor for significantly intense reflections | 0.0504 |
| Weighted residual factors for significantly intense reflections | 0.1145 |
| Weighted residual factors for all reflections included in the refinement | 0.1335 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.042 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| 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. |
2228520.cif 2228520.hkl |
| 181206 | 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 2/22/85. |
2228520.cif 2228520.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. |
2228520.cif 2228520.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2228520.cif 2228520.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. | 2228520.cif 2228520.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2228520.cif 2228520.hkl |
| 11387 | 2011-02-15 | hkl/: Adding Reflection data for the recently deposited IUCr-originating structures. | 2228520.cif 2228520.hkl |
| 5795 | 2011-01-06 | ../uploads/cif-deposit/cod/cif Adding structures of 2228512, 2228513, 2228514, 2228515, 2228516, 2228517, 2228518, 2228519, 2228520, 2228521 via cif-deposit CGI script. |
2228520.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.