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Information card for entry 7218288
Preview
| Coordinates | 7218288.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C17 H24 N2 O |
|---|---|
| Calculated formula | C17 H24 N2 O |
| SMILES | O=C1NC(=NC1(C)CCCCCCC)c1ccccc1 |
| Title of publication | Efficient 4,5-dihydro-1H-imidazol-5-one formation from amidines and ketones under transition-metal free conditions |
| Authors of publication | Xie, Yanjun; Cheng, Xiufang; Liu, Saiwen; Chen, Hui; Zhou, Wang; Yang, Luo; Deng, Guo-Jun |
| Journal of publication | Green Chem. |
| Year of publication | 2015 |
| Journal volume | 17 |
| Journal issue | 1 |
| Pages of publication | 209 |
| a | 29.745 ± 0.011 Å |
| b | 5.802 ± 0.002 Å |
| c | 19.967 ± 0.008 Å |
| α | 90° |
| β | 112.103 ± 0.004° |
| γ | 90° |
| Cell volume | 3193 ± 2 Å3 |
| Cell temperature | 173.15 K |
| Ambient diffraction temperature | 173.15 K |
| Number of distinct elements | 4 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0593 |
| Residual factor for significantly intense reflections | 0.0525 |
| Weighted residual factors for significantly intense reflections | 0.1152 |
| Weighted residual factors for all reflections included in the refinement | 0.119 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.118 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| 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. |
7218288.cif |
| 180513 | 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 7/21/82. |
7218288.cif |
| 131084 | 2015-02-04 | cif/ Updating files of 7218288 Original log message: Adding full bibliography for 7218288.cif. |
7218288.cif |
| 124302 | 2014-09-27 | cif/ Adding structures of 7218288 via cif-deposit CGI script. |
7218288.cif |
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