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Information card for entry 4031915
Preview
| Coordinates | 4031915.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C14.25 H21 N8 O4.25 |
|---|---|
| Calculated formula | C14.25 H21 N8 O4.25 |
| Title of publication | Correction to "Glycoluril Dimer Isomerization under Aqueous Acidic Conditions Related to Cucurbituril Formation". |
| Authors of publication | Stancl, Marek; Gargulakova, Zuzana; Sindelar, Vladimir |
| Journal of publication | The Journal of organic chemistry |
| Year of publication | 2016 |
| Journal volume | 81 |
| Journal issue | 3 |
| Pages of publication | 1316 |
| a | 11.8598 ± 0.0004 Å |
| b | 19.9474 ± 0.0011 Å |
| c | 13.9976 ± 0.0005 Å |
| α | 90° |
| β | 92.895 ± 0.003° |
| γ | 90° |
| Cell volume | 3307.2 ± 0.2 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.069 |
| Residual factor for significantly intense reflections | 0.0396 |
| Weighted residual factors for significantly intense reflections | 0.1125 |
| Weighted residual factors for all reflections included in the refinement | 0.1314 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.992 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 177252 (current) | 2016-03-04 | cif/ Adding structures of 4031915 via cif-deposit CGI script. |
4031915.cif |
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Users of the data should acknowledge the original authors of the
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