Information card for entry 4024542

Structure parameters

• Chemical name: 1-cyclohexyl-3-hydroxy-2-mthyl-3-phenylpropyl cyclohexanecarboxylate
• Formula: C23 H34 O3
• Calculated formula: C23 H34 O3
• Title of publication: Toward Asymmetric Aldol-Tishchenko Reactions with Enolizable Aldehydes: Access to Defined Configured Stereotriads, Tetrads, and Stereopentads
• Authors of publication: Kerstin Rohr; Robert Herre; Rainer Mahrwald
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2009
• Journal volume: 74
• Pages of publication: 3744 - 3749
• a: 9.4139 ± 0.0011 Å
• b: 10.6583 ± 0.0012 Å
• c: 10.9899 ± 0.0014 Å
• α: 93.836 ± 0.01°
• β: 111.469 ± 0.009°
• γ: 95.665 ± 0.009°
• Cell volume: 1014.8 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1153
• Residual factor for significantly intense reflections: 0.0602
• Weighted residual factors for significantly intense reflections: 0.1079
• Weighted residual factors for all reflections included in the refinement: 0.123
• Goodness-of-fit parameter for all reflections included in the refinement: 0.95
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No