Information card for entry 7150798

Structure parameters

• Chemical name: Dicyclohexylammoinum (1S*,2R*)-1-Benzyl-2-methyl- cyclopropanecarboxylate
• 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 ų
• 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