Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2241004
Preview
| Coordinates | 2241004.cif |
|---|---|
| Structure factors | 2241004.hkl |
| Original paper (by DOI) | HTML |
| Common name | 1-[({5-[[(2-Oxidonaphthalen-1-yl)methylidene]azaniumyl]pentyl}iminiumyl)methyl]naphthalen-2-olate |
|---|---|
| Chemical name | 1,1'-{(Pentane-1,5-diyl)bis[(azaniumylylidene)methanylylidene]}bis(naphthalen-2-olate) |
| Formula | C27 H26 N2 O2 |
| Calculated formula | C27 H26 N2 O2 |
| Title of publication | Crystal structure of 1,1'-{(pentane-1,5-diyl)bis[(azaniumylylidene)methanylylidene]}bis(naphthalen-2-olate) |
| Authors of publication | Ouari, Kamel; Merzougui, Moufida; Karmazin, Lydia |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 9 |
| Pages of publication | 1010 - 1012 |
| a | 20.908 ± 0.0013 Å |
| b | 4.7429 ± 0.0002 Å |
| c | 10.681 ± 0.0006 Å |
| α | 90° |
| β | 96.419 ± 0.003° |
| γ | 90° |
| Cell volume | 1052.54 ± 0.1 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 13 |
| Hermann-Mauguin space group symbol | P 1 2/c 1 |
| Hall space group symbol | -P 2yc |
| Residual factor for all reflections | 0.0762 |
| Residual factor for significantly intense reflections | 0.0491 |
| Weighted residual factors for significantly intense reflections | 0.1082 |
| Weighted residual factors for all reflections included in the refinement | 0.1196 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.082 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181911 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/10. |
2241004.cif 2241004.hkl |
| 153391 | 2015-08-13 | cif/ hkl/ Adding structures of 2241004 via cif-deposit CGI script. |
2241004.cif 2241004.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.