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Information card for entry 7206265
Preview
| Coordinates | 7206265.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C20 H14 N4 |
|---|---|
| Calculated formula | C20 H14 N4 |
| SMILES | c1nccn1c1c2ccccc2c(c2ccccc12)n1cncc1 |
| Title of publication | Controlled assembly of an unprecedented 2D + 3D interpenetrated array of (4,4)-connected and pcu topologies |
| Authors of publication | Lee, Hong-Jyun; Cheng, Pi-Yun; Chen, Chih-Yuan; Shen, Jiun-Shian; Nandi, Debkumar; Lee, Hon Man |
| Journal of publication | CrystEngComm |
| Year of publication | 2011 |
| Journal volume | 13 |
| Journal issue | 15 |
| Pages of publication | 4814 |
| a | 5.6711 ± 0.0011 Å |
| b | 8.1633 ± 0.0016 Å |
| c | 8.5872 ± 0.0017 Å |
| α | 93.01 ± 0.004° |
| β | 103.997 ± 0.004° |
| γ | 93.971 ± 0.004° |
| Cell volume | 383.83 ± 0.13 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0522 |
| Residual factor for significantly intense reflections | 0.0408 |
| Weighted residual factors for significantly intense reflections | 0.1161 |
| Weighted residual factors for all reflections included in the refinement | 0.1209 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.277 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301863 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/20/ Each referenced PubChem compound corresponds to the full crystal structure. |
7206265.cif |
| 180393 | 2016-03-26 | cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/62. |
7206265.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7206265.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7206265.cif |
| 23586 | 2011-08-09 | ../uploads/cif-deposit/cod/cif Adding structures of 7206265, 7206266, 7206267, 7206268 via cif-deposit CGI script. |
7206265.cif |
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