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Information card for entry 2300508
Preview
| Coordinates | 2300508.cif |
|---|---|
| Structure factors | 2300508.hkl |
| Original paper (by DOI) | HTML |
| Formula | C32 H28 N4 O4 |
|---|---|
| Calculated formula | C32 H28 N4 O4 |
| SMILES | c1(ccc(cc1OC)/C=N/c1ccc(cc1)/N=C/c1ccc(c(c1)OC)O)O.n1ccc(cc1)c1ccncc1 |
| 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 | 12.8209 ± 0.0009 Å |
| b | 7.0395 ± 0.0004 Å |
| c | 14.7623 ± 0.0007 Å |
| α | 90° |
| β | 96.82 ± 0.003° |
| γ | 90° |
| Cell volume | 1322.91 ± 0.14 Å3 |
| Cell temperature | 193 ± 2 K |
| Ambient diffraction temperature | 193 ± 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 | 0.1084 |
| Residual factor for significantly intense reflections | 0.0727 |
| Weighted residual factors for significantly intense reflections | 0.1769 |
| Weighted residual factors for all reflections included in the refinement | 0.1953 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.049 |
| 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 |
2300508.cif 2300508.hkl |
| 136478 | 2015-05-14 | cif/ hkl/ Adding structures of 2300505, 2300506, 2300507, 2300508 via cif-deposit CGI script. |
2300508.cif 2300508.hkl |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
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.
Users of the data should acknowledge the original authors of the
structural data.