Information card for entry 4077370

Structure parameters

• Formula: C26 H40 N O Y
• Calculated formula: C26 H40 N O Y
• Title of publication: Organolanthanide-Based Coordination and Insertion Reactivity of the Anion Formed by Deprotonation of ε-Caprolactam
• Authors of publication: Evans, William J.; Fujimoto, Cy H.; Ziller, Joseph W.
• Journal of publication: Organometallics
• Year of publication: 2001
• Journal volume: 20
• Journal issue: 22
• Pages of publication: 4529
• a: 8.6069 ± 0.0007 Å
• b: 21.0692 ± 0.0016 Å
• c: 13.5871 ± 0.001 Å
• α: 90°
• β: 90.721 ± 0.001°
• γ: 90°
• Cell volume: 2463.7 ± 0.3 ų
• Cell temperature: 158 ± 2 K
• Ambient diffraction temperature: 158 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0678
• Residual factor for significantly intense reflections: 0.0536
• Weighted residual factors for significantly intense reflections: 0.1499
• Weighted residual factors for all reflections included in the refinement: 0.1585
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No