Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2239442
Preview
| Coordinates | 2239442.cif |
|---|---|
| Structure factors | 2239442.hkl |
| Original IUCr paper | HTML |
| Chemical name | (4,9-Dimethyl-9<i>H</i>-carbazol-3-yl)methanol |
|---|---|
| Formula | C15 H15 N O |
| Calculated formula | C15 H15 N O |
| SMILES | OCc1ccc2c(c1C)c1ccccc1n2C |
| Title of publication | (4,9-Dimethyl-9<i>H</i>-carbazol-3-yl)methanol |
| Authors of publication | Öncüoğlu, Serkan; Dilek, Nefise; Ergün, Yavuz; Hökelek, Tuncer |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 3 |
| Pages of publication | o346 - o347 |
| a | 14.4728 ± 0.0004 Å |
| b | 5.4554 ± 0.0003 Å |
| c | 15.0906 ± 0.0004 Å |
| α | 90° |
| β | 95.453 ± 0.004° |
| γ | 90° |
| Cell volume | 1186.08 ± 0.08 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.0873 |
| Residual factor for significantly intense reflections | 0.079 |
| Weighted residual factors for significantly intense reflections | 0.2105 |
| Weighted residual factors for all reflections included in the refinement | 0.2139 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.16 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181894 (current) | 2016-04-06 | hkl/2/23/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/23/94. |
2239442.cif 2239442.hkl |
| 181313 | 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 2/23/94. |
2239442.cif 2239442.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. |
2239442.cif 2239442.hkl |
| 110725 | 2014-04-19 | cif/ hkl/ Adding structures of 2239442 via cif-deposit CGI script. |
2239442.cif 2239442.hkl |
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.