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Information card for entry 7204084
Preview
| Coordinates | 7204084.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider; PubChem |
| Formula | C27 H23 B N2 |
|---|---|
| Calculated formula | C27 H23 B N2 |
| SMILES | c1(ccccc1)[B](c1ccccc1)(c1ccccc1)[n]1cn(cc1)c1ccccc1 |
| Title of publication | The complexation of tetraphenylborate with organic N-heteroaromatic cations |
| Authors of publication | Kiviniemi, Sari; Nissinen, Maija; Alaviuhkola, Terhi; Rissanen, Kari; Pursiainen, Jouni |
| Journal of publication | Journal of the Chemical Society, Perkin Transactions 2 |
| Year of publication | 2001 |
| Journal issue | 12 |
| Pages of publication | 2364 |
| a | 27.494 ± 0.001 Å |
| b | 9.4662 ± 0.0006 Å |
| c | 20.009 ± 0.001 Å |
| α | 90° |
| β | 127.67 ± 0.03° |
| γ | 90° |
| Cell volume | 4122.1 ± 1.7 Å3 |
| Cell temperature | 173 ± 0.2 K |
| Ambient diffraction temperature | 173 ± 0.2 K |
| Number of distinct elements | 4 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0957 |
| Residual factor for significantly intense reflections | 0.0498 |
| Weighted residual factors for significantly intense reflections | 0.0956 |
| Weighted residual factors for all reflections included in the refinement | 0.1119 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.021 |
| 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. |
7204084.cif |
| 213973 | 2019-03-05 | cod/ Removed potentially copyrighted or irrelevant data items from 1289 entries. |
7204084.cif |
| 202017 | 2017-10-14 | cif/ Marking COD entries in range 7 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
7204084.cif |
| 180371 | 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 7/20/40. |
7204084.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7204084.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7204084.cif |
| 3890 | 2010-12-07 | cif/7/ Adding CIFs with data extracted from New-J-Chem-2004-2000/, Org-Biomol-Chem-2004-2000/ and RSC-2004-2000/. |
7204084.cif |
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Users of the data should acknowledge the original authors of the
structural data.