Information card for entry 1555565

Structure parameters

• Formula: C21 H22 N2 O6
• Calculated formula: C21 H22 N2 O6
• Title of publication: Synthesis of the Privileged 8-Arylmenthol Class by Radical Arylation of Isopulegol.
• Authors of publication: Crossley, Steven W. M.; Martinez, Ruben M.; Guevara-Zuluaga, Sebastián; Shenvi, Ryan A.
• Journal of publication: Organic letters
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 11
• Pages of publication: 2620 - 2623
• a: 7.7666 ± 0.0005 Å
• b: 15.5767 ± 0.0006 Å
• c: 16.2634 ± 0.0006 Å
• α: 91.394 ± 0.004°
• β: 99.881 ± 0.004°
• γ: 90.214 ± 0.004°
• Cell volume: 1937.69 ± 0.16 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0489
• Residual factor for significantly intense reflections: 0.0412
• Weighted residual factors for significantly intense reflections: 0.1013
• Weighted residual factors for all reflections included in the refinement: 0.1049
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No