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Information card for entry 7218811
Preview
| Coordinates | 7218811.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | N-Adamantan-1-yl-benzenesulfonamide |
|---|---|
| Formula | C16 H21 N O2 S |
| Calculated formula | C16 H21 N O2 S |
| SMILES | S(=O)(=O)(NC12CC3CC(C1)CC(C2)C3)c1ccccc1 |
| Title of publication | Adamantane derivatives of sulfonamide molecular crystals: structure, sublimation thermodynamic characteristics, molecular packing, and hydrogen bond networks |
| Authors of publication | Perlovich, German L.; Ryzhakov, Alex M.; Tkachev, Valery V.; Proshin, Alexey N. |
| Journal of publication | CrystEngComm |
| Year of publication | 2015 |
| Journal volume | 17 |
| Journal issue | 4 |
| Pages of publication | 753 |
| a | 11.977 ± 0.001 Å |
| b | 10.516 ± 0.001 Å |
| c | 11.29 ± 0.001 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1422 ± 0.2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 29 |
| Hermann-Mauguin space group symbol | P c a 21 |
| Hall space group symbol | P 2c -2ac |
| Residual factor for all reflections | 0.0328 |
| Residual factor for significantly intense reflections | 0.0298 |
| Weighted residual factors for significantly intense reflections | 0.0721 |
| Weighted residual factors for all reflections included in the refinement | 0.0734 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.068 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180519 (current) | 2016-03-26 | cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/88. |
7218811.cif |
| 133152 | 2015-03-06 | cif/ Updating files of 7218810, 7218811, 7218812, 7218813, 7218814, 7218815 Original log message: Adding full bibliography for 7218810--7218815.cif. |
7218811.cif |
| 127536 | 2014-11-20 | cif/ Adding structures of 7218810, 7218811, 7218812, 7218813, 7218814, 7218815 via cif-deposit CGI script. |
7218811.cif |
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Users of the data should acknowledge the original authors of the
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