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Information card for entry 1516584
Preview
| Coordinates | 1516584.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C24 H12 Se2 |
|---|---|
| Calculated formula | C24 H12 Se2 |
| SMILES | [se]1c2cccc3c2c2c1cccc2c1cccc2[se]c4c(c12)c3ccc4 |
| Title of publication | Heteroatom-bridged tetraphenylenes: synthesis, structures, and properties. |
| Authors of publication | Xiong, Xiao-Dong; Deng, Chun-Lin; Peng, Xiao-Shui; Miao, Qian; Wong, Henry N. C. |
| Journal of publication | Organic letters |
| Year of publication | 2014 |
| Journal volume | 16 |
| Journal issue | 12 |
| Pages of publication | 3252 - 3255 |
| a | 28.5952 ± 0.0014 Å |
| b | 7.5369 ± 0.0003 Å |
| c | 15.6922 ± 0.0008 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3382 ± 0.3 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 60 |
| Hermann-Mauguin space group symbol | P b c n |
| Hall space group symbol | -P 2n 2ab |
| Residual factor for all reflections | 0.0251 |
| Residual factor for significantly intense reflections | 0.0199 |
| Weighted residual factors for significantly intense reflections | 0.0471 |
| Weighted residual factors for all reflections included in the refinement | 0.0502 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.055 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301776 (current) | 2025-08-18 | Add cross-references to PubChem compounds in COD range 1/51 Each referenced PubChem compound corresponds to the full crystal structure. |
1516584.cif |
| 176729 | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1516584.cif |
| 119297 | 2014-07-05 | cif/ Updating files of 1516580, 1516581, 1516582, 1516583, 1516584, 1516585 Original log message: Adding full bibliography for 1516580--1516585.cif. |
1516584.cif |
| 116340 | 2014-06-10 | cif/ Adding structures of 1516584 via cif-deposit CGI script. |
1516584.cif |
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Users of the data should acknowledge the original authors of the
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