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Information card for entry 8102032
Preview
| Coordinates | 8102032.cif |
|---|---|
| External links | PubChem |
| Chemical name | (N-t-butyl-3,4-diphenyl-1,2-oxazetidin-4-yl)methanol |
|---|---|
| Formula | C19 H23 N O2 |
| Calculated formula | C19 H23 N O2 |
| SMILES | c1ccccc1[C@]1(CO)[C@H](c2ccccc2)N(C(C)(C)C)O1.c1ccccc1[C@@]1(CO)[C@@H](c2ccccc2)N(C(C)(C)C)O1 |
| Title of publication | Crystal structure of (N-tert-butyl-3,4-diphenyl-1,2-oxazetidin-4-yl) methanol, C~19~H~23~NO~2~ |
| Authors of publication | Florio, S.; Capriati, V.; Luisi, R.; Salomone, A.; Cuocci, C. |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2006 |
| Journal volume | 221 |
| Journal issue | 3 |
| Pages of publication | 398 - 400 |
| a | 9.481 ± 0.001 Å |
| b | 12.073 ± 0.001 Å |
| c | 30.079 ± 0.005 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3443 ± 0.7 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 29 |
| Hermann-Mauguin space group symbol | P b c 21 |
| Hall space group symbol | P 2c -2b |
| Residual factor for all reflections | 0.1396 |
| Residual factor for significantly intense reflections | 0.0771 |
| Weighted residual factors for significantly intense reflections | 0.1813 |
| Weighted residual factors for all reflections included in the refinement | 0.2173 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.03 |
| 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. |
8102032.cif |
| 176728 | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 8. |
8102032.cif |
| 107950 | 2014-03-25 | cif/8/ (antanas@lokys.ibt.lt) Adding and updating bibliographic information: volume, authors, issue, first page, last page. |
8102032.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
8102032.cif |
| 12771 | 2011-03-05 | ../uploads/cif-deposit/cod/cif Adding structures of 8102032 via cif-deposit CGI script. |
8102032.cif |
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