Information card for entry 4118909

Structure parameters

• Formula: C12 H15 Cl N2 O4
• Calculated formula: C12 H15 Cl N2 O4
• Title of publication: Organocatalytic Carbonyl-Olefin Metathesis
• Authors of publication: Allison K. Griffith; Christine M. Vanos; Tristan H. Lambert
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2012
• Journal volume: 134
• Pages of publication: 18581 - 18584
• a: 10.3044 ± 0.0008 Å
• b: 9.1172 ± 0.0007 Å
• c: 27.235 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2558.7 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.063
• Residual factor for significantly intense reflections: 0.0496
• Weighted residual factors for significantly intense reflections: 0.1357
• Weighted residual factors for all reflections included in the refinement: 0.1465
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No