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Information card for entry 7213468
Preview
| Coordinates | 7213468.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C16 H16 N2 O2 S2 |
|---|---|
| Calculated formula | C16 H16 N2 O2 S2 |
| Title of publication | Intra- and intermolecular interactions in substituted dithia[3.3]metacyclophanes |
| Authors of publication | Moriguchi, Tetsuji; Sakata, Kazunori; Tsuge, Akihiko |
| Journal of publication | Journal of the Chemical Society, Perkin Transactions 2 |
| Year of publication | 2001 |
| Journal issue | 6 |
| Pages of publication | 934 |
| a | 13.201 ± 0.002 Å |
| b | 12.276 ± 0.002 Å |
| c | 19.352 ± 0.001 Å |
| α | 90° |
| β | 107.004 ± 0.008° |
| γ | 90° |
| Cell volume | 2999 ± 0.7 Å3 |
| Cell temperature | 293.2 K |
| Ambient diffraction temperature | 293.2 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Diffraction radiation wavelength | 1.5418 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301864 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/21/ Each referenced PubChem compound corresponds to the full crystal structure. |
7213468.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. |
7213468.cif |
| 96303 | 2014-01-29 | cif/ Adding structures of 7213466, 7213467, 7213468, 7213469 via cif-deposit CGI script. |
7213468.cif |
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