Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2227329
Preview
| Coordinates | 2227329.cif |
|---|---|
| Structure factors | 2227329.hkl |
| Original IUCr paper | HTML |
| External links | ChemSpider |
| Common name | 2-Hydroxy-3-formyl-7-methoxycarbazole |
|---|---|
| Chemical name | 2-Hydroxy-7-methoxy-9<i>H</i>-carbazole-3-carbaldehyde |
| Formula | C14 H11 N O3 |
| Calculated formula | C14 H11 N O3 |
| SMILES | Oc1cc2[nH]c3cc(OC)ccc3c2cc1C=O |
| Title of publication | 2-Hydroxy-7-methoxy-9<i>H</i>-carbazole-3-carbaldehyde |
| Authors of publication | Fun, Hoong-Kun; Maneerat, Wisanu; Laphookhieo, Surat; Chantrapromma, Suchada |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2010 |
| Journal volume | 66 |
| Journal issue | 9 |
| Pages of publication | o2418 - o2419 |
| a | 12.4352 ± 0.0004 Å |
| b | 17.6564 ± 0.0005 Å |
| c | 5.0839 ± 0.0001 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1116.23 ± 0.05 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 4 |
| Space group number | 33 |
| Hermann-Mauguin space group symbol | P n a 21 |
| Hall space group symbol | P 2c -2n |
| Residual factor for all reflections | 0.0368 |
| Residual factor for significantly intense reflections | 0.0304 |
| Weighted residual factors for significantly intense reflections | 0.0791 |
| Weighted residual factors for all reflections included in the refinement | 0.0966 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.308 |
| Diffraction radiation wavelength | 1.54178 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. |
2227329.cif 2227329.hkl |
| 181194 | 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 2/22/73. |
2227329.cif 2227329.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. |
2227329.cif 2227329.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2227329.cif 2227329.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. | 2227329.cif 2227329.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2227329.cif 2227329.hkl |
| 5269 | 2010-12-22 | hkl/ Adding Fobs data for the recent IUCr-published structres. |
2227329.cif 2227329.hkl |
| 4366 | 2010-12-17 | ../uploads/cif-deposit/cod/cif Adding structures of 2227329 via cif-deposit CGI script. |
2227329.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.