Information card for entry 4128403

Structure parameters

• Formula: C11 H13 N O2
• Calculated formula: C11 H13 N O2
• Title of publication: Chiral Cyclopentadienyl Cobalt(III) Complexes Enable Highly Enantioselective 3d-Metal-Catalyzed C-H Functionalizations.
• Authors of publication: Ozols, Kristers; Jang, Yun-Suk; Cramer, Nicolai
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• Journal volume: 141
• Journal issue: 14
• Pages of publication: 5675 - 5680
• a: 11.7035 ± 0.0005 Å
• b: 7.6414 ± 0.0003 Å
• c: 10.7527 ± 0.0004 Å
• α: 90°
• β: 93.565 ± 0.004°
• γ: 90°
• Cell volume: 959.77 ± 0.07 ų
• Cell temperature: 140 ± 0.1 K
• Ambient diffraction temperature: 140 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0544
• Residual factor for significantly intense reflections: 0.0429
• Weighted residual factors for significantly intense reflections: 0.1009
• Weighted residual factors for all reflections included in the refinement: 0.1072
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No