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Information card for entry 7204377
Preview
| Coordinates | 7204377.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C40 H27 N O3 |
|---|---|
| Calculated formula | C40 H27 N O3 |
| SMILES | O=C1[C@@]2(c3c([C@]1([C@@H]1[C@H]2C(=O)N(C1=O)c1cccc(c1)C)c1ccccc1)c1c(c2c3cccc2)cccc1)c1ccccc1 |
| Title of publication | Non-hydroxylic clathrate hosts of [4 + 2]π cycloadducts of phencyclone and N-arylmaleimides: recognition of aromatic guests |
| Authors of publication | Yoshitake, Yasuyuki; Misaka, Junichi; Setoguchi, Koji; Abe, Masaki; Kawaji, Tomohiro; Eto, Masashi; Harano, Kazunobu |
| Journal of publication | Journal of the Chemical Society, Perkin Transactions 2 |
| Year of publication | 2002 |
| Journal issue | 9 |
| Pages of publication | 1611 - 1619 |
| a | 11.667 ± 0.003 Å |
| b | 14.264 ± 0.003 Å |
| c | 9.053 ± 0.002 Å |
| α | 90.09 ± 0.02° |
| β | 100.01 ± 0.02° |
| γ | 77.15 ± 0.02° |
| Cell volume | 1445.4 ± 0.6 Å3 |
| Cell temperature | 293.2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for significantly intense reflections | 0.0524 |
| Weighted residual factors for all reflections included in the refinement | 0.075 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.282 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 275120 (current) | 2022-05-06 | cif/7/20/43/ Updated bibliographic information in entries 7204376-7204379. |
7204377.cif |
| 176453 | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7. |
7204377.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7204377.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7204377.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/. |
7204377.cif |
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Users of the data should acknowledge the original authors of the
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