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Information card for entry 7150798
Preview
Coordinates | 7150798.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | Dicyclohexylammoinum (1S*,2R*)-1-Benzyl-2-methyl- cyclopropanecarboxylate |
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Formula | C24 H37 N O2 |
Calculated formula | C24 H37 N O2 |
SMILES | O=C([O-])[C@@]1(C[C@H]1C)Cc1ccccc1.[NH2+](C1CCCCC1)C1CCCCC1.O=C([O-])[C@]1(C[C@@H]1C)Cc1ccccc1.[NH2+](C1CCCCC1)C1CCCCC1 |
Title of publication | A general stereoselective method for the synthesis of cyclopropanecarboxylates. A new version of the homologous Horner‒Wadsworth‒Emmons reaction |
Authors of publication | Krawczyk, Henryk; Wąsek, Katarzyna; Kędzia, Jacek; Wojciechowski, Jakub; Wolf, Wojciech M. |
Journal of publication | Organic & Biomolecular Chemistry |
Year of publication | 2008 |
Journal volume | 6 |
Journal issue | 2 |
Pages of publication | 308 - 318 |
a | 10.2817 ± 0.0001 Å |
b | 10.6027 ± 0.0001 Å |
c | 11.7395 ± 0.0002 Å |
α | 64.164 ± 0.001° |
β | 86.195 ± 0.001° |
γ | 73.578 ± 0.001° |
Cell volume | 1102.46 ± 0.03 Å3 |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0499 |
Residual factor for significantly intense reflections | 0.048 |
Weighted residual factors for significantly intense reflections | 0.1374 |
Weighted residual factors for all reflections included in the refinement | 0.1401 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.052 |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
176453 (current) | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7. |
7150798.cif |
120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7150798.cif |
35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7150798.cif |
1173 | 2010-05-16 | cif/7/: adding data from Dalton-Trans-2008, New-J-Chem-2008, Org-Biomol-Chem-2008 and RSC-2008 processing. | 7150798.cif |
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