Information card for entry 1567573

Structure parameters

• Formula: C31 H44 Co N3 O2
• Calculated formula: C31 H44 Co N3 O2
• Title of publication: Direct observation of reversible bond homolysis by 2D EXSY NMR
• Authors of publication: Takebayashi, Satoshi; Fayzullin, Robert R.; Bansal, Richa
• Journal of publication: Chemical Science
• Year of publication: 2022
• Journal volume: 13
• Journal issue: 32
• Pages of publication: 9202 - 9209
• a: 11.59303 ± 0.00007 Å
• b: 11.77994 ± 0.00006 Å
• c: 21.25835 ± 0.00012 Å
• α: 90°
• β: 91.1883 ± 0.0005°
• γ: 90°
• Cell volume: 2902.53 ± 0.03 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 5
• 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: 0.0319
• Residual factor for significantly intense reflections: 0.0307
• Weighted residual factors for significantly intense reflections: 0.0855
• Weighted residual factors for all reflections included in the refinement: 0.0863
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No