Information card for entry 4134589

Structure parameters

• Formula: C22 H22 N4 O4
• Calculated formula: C22 H22 N4 O4
• Title of publication: Catalytic, Asymmetric Dearomative Synthesis of Complex Cyclohexanes via a Highly Regio- and Stereoselective Arene Cyclopropanation Using α-Cyanodiazoacetates
• Authors of publication: Smith, Kendrick L.; Padgett, Cody L.; Mackay, William D.; Johnson, Jeffrey S.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2020
• a: 6.2622 ± 0.0001 Å
• b: 10.0039 ± 0.0001 Å
• c: 31.7656 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1990 ± 0.05 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0289
• Residual factor for significantly intense reflections: 0.0286
• Weighted residual factors for significantly intense reflections: 0.0981
• Weighted residual factors for all reflections included in the refinement: 0.0988
• Goodness-of-fit parameter for all reflections included in the refinement: 0.96
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No