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Information card for entry 2300505
Preview
| Coordinates | 2300505.cif |
|---|---|
| Structure factors | 2300505.hkl |
| Original paper (by DOI) | HTML |
| Formula | C28 H26 N2 O4 |
|---|---|
| Calculated formula | C28 H26 N2 O4 |
| SMILES | c1c(OC)c(O)ccc1/C=N/c1ccc(/N=C/c2ccc(c(c2)OC)O)cc1.c1ccccc1 |
| 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 | 5.9038 ± 0.0004 Å |
| b | 10.7455 ± 0.0008 Å |
| c | 19.4895 ± 0.0011 Å |
| α | 90° |
| β | 90.263 ± 0.002° |
| γ | 90° |
| Cell volume | 1236.39 ± 0.14 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/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0555 |
| Residual factor for significantly intense reflections | 0.0421 |
| Weighted residual factors for significantly intense reflections | 0.111 |
| Weighted residual factors for all reflections included in the refinement | 0.1164 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.986 |
| 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 |
2300505.cif 2300505.hkl |
| 136478 | 2015-05-14 | cif/ hkl/ Adding structures of 2300505, 2300506, 2300507, 2300508 via cif-deposit CGI script. |
2300505.cif 2300505.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.