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Information card for entry 8101943
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| Coordinates | 8101943.cif |
|---|---|
| External links | PubChem |
| Chemical name | 2-((1-(1-adamantyl)ethyl)iminomethyl)phenol |
|---|---|
| Formula | C19 H25 N O |
| Calculated formula | C19 H25 N O |
| SMILES | Oc1ccccc1/C=N/C(C)C12CC3CC(CC(C3)C2)C1 |
| Title of publication | Crystal structure of 2-((1-(1-adamantyl)ethyl)iminomethyl)phenol, C~19~H~25~NO |
| Authors of publication | Shi, X.; Lü, Z.-X.; Zhao, G.-L. |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2006 |
| Journal volume | 221 |
| Journal issue | 2 |
| Pages of publication | 145 - 147 |
| a | 6.4436 ± 0.0008 Å |
| b | 16.4383 ± 0.0019 Å |
| c | 15.3404 ± 0.0018 Å |
| α | 90° |
| β | 98.536 ± 0.002° |
| γ | 90° |
| Cell volume | 1606.9 ± 0.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for significantly intense reflections | 0.0793 |
| Weighted residual factors for significantly intense reflections | 0.1613 |
| Weighted residual factors for all reflections included in the refinement | 0.1722 |
| 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 |
|---|---|---|---|
| 301880 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 8/ Each referenced PubChem compound corresponds to the full crystal structure. |
8101943.cif |
| 176466 | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 8. |
8101943.cif |
| 107948 | 2014-03-25 | cif/8/ (antanas@lokys.ibt.lt) Adding and updating bibliographic information: volume, authors, issue, first page, last page. |
8101943.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
8101943.cif |
| 12682 | 2011-03-05 | ../uploads/cif-deposit/cod/cif Adding structures of 8101943 via cif-deposit CGI script. |
8101943.cif |
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