Information card for entry 7110575

Structure parameters

• Formula: C13 H21 N O
• Calculated formula: C13 H21 N O
• Title of publication: One-pot synthesis of γ-lactams in a reaction cascade from α,β-unsaturated imines, CO and ethylene catalysed by Ru3(CO)12†
• Authors of publication: Berger, Daniel; Imhof, Wolfgang
• Journal of publication: Chemical Communications
• Year of publication: 1999
• Journal issue: 16
• Pages of publication: 1457
• a: 20.4759 ± 0.0012 Å
• b: 22.0944 ± 0.0012 Å
• c: 11.443 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5176.8 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 4
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.0634
• Residual factor for significantly intense reflections: 0.0562
• Weighted residual factors for all reflections: 0.1547
• Weighted residual factors for significantly intense reflections: 0.1395
• Goodness-of-fit parameter for all reflections: 1.081
• Goodness-of-fit parameter for significantly intense reflections: 1.102
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No