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Information card for entry 1507377
Preview
| Coordinates | 1507377.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C20 H20 N2 O4 S2 |
|---|---|
| Calculated formula | C20 H20 N2 O4 S2 |
| SMILES | S(=O)(=O)(N(c1c(N(S(=O)(=O)c2ccccc2)C)cccc1)C)c1ccccc1 |
| Title of publication | Absolute helical arrangement of sulfonamide in the crystal. |
| Authors of publication | Azumaya, Isao; Kato, Takako; Okamoto, Iwao; Yamasaki, Ryu; Tanatani, Aya; Yamaguchi, Kentaro; Kagechika, Hiroyuki; Takayanagi, Hiroaki |
| Journal of publication | Organic letters |
| Year of publication | 2003 |
| Journal volume | 5 |
| Journal issue | 21 |
| Pages of publication | 3939 - 3942 |
| a | 8.475 ± 0.001 Å |
| b | 8.475 ± 0.001 Å |
| c | 27.185 ± 0.001 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1952.6 ± 0.3 Å3 |
| Cell temperature | 296.2 K |
| Number of distinct elements | 5 |
| Space group number | 96 |
| Hermann-Mauguin space group symbol | P 43 21 2 |
| Hall space group symbol | P 4nw 2abw |
| Residual factor for significantly intense reflections | 0.0446 |
| Weighted residual factors for all reflections included in the refinement | 0.062 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.186 |
| Diffraction radiation wavelength | 1.5418 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301775 (current) | 2025-08-18 | Add cross-references to PubChem compounds in COD range 1/50 Each referenced PubChem compound corresponds to the full crystal structure. |
1507377.cif |
| 176435 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2. |
1507377.cif |
| 120071 | 2014-07-11 | Adding DOIs to range 1 structures. | 1507377.cif |
| 53871 | 2012-04-20 | cif/ Adding structures of 1507377 via cif-deposit CGI script. |
1507377.cif |
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Users of the data should acknowledge the original authors of the
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