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Information card for entry 2300507
Preview
| Coordinates | 2300507.cif |
|---|---|
| Structure factors | 2300507.hkl |
| Original paper (by DOI) | HTML |
| Formula | C26 H28 N2 O5 |
|---|---|
| Calculated formula | C26 H28 N2 O5 |
| SMILES | Oc1c(OC)cc(/C=N/c2ccc(/N=C/c3cc(OC)c(O)cc3)cc2)cc1.O1CCCC1 |
| Title of publication | Supramolecular organic frameworks of a Schiff base showing selective guest adsorption |
| Authors of publication | Kong, Jianfei; Du, Jialei; Wang, Jiren; Chen, Zuofeng |
| Journal of publication | Journal of Applied Crystallography |
| Year of publication | 2015 |
| Journal volume | 48 |
| Journal issue | 3 |
| a | 13.2363 ± 0.0009 Å |
| b | 11.765 ± 0.0008 Å |
| c | 17.6353 ± 0.0009 Å |
| α | 90° |
| β | 103.281 ± 0.001° |
| γ | 90° |
| Cell volume | 2672.8 ± 0.3 Å3 |
| Cell temperature | 193 ± 2 K |
| Ambient diffraction temperature | 193 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.1243 |
| Residual factor for significantly intense reflections | 0.1015 |
| Weighted residual factors for significantly intense reflections | 0.2874 |
| Weighted residual factors for all reflections included in the refinement | 0.3038 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.109 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181919 (current) | 2016-04-06 | hkl/2/30/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/30/05 |
2300507.cif 2300507.hkl |
| 136478 | 2015-05-14 | cif/ hkl/ Adding structures of 2300505, 2300506, 2300507, 2300508 via cif-deposit CGI script. |
2300507.cif 2300507.hkl |
All data in the COD and the database itself are dedicated to the
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.
Users of the data should acknowledge the original authors of the
structural data.