Information card for entry 7105485

Structure parameters

• Formula: C22 H34 N2 O6
• Calculated formula: C22 H34 N2 O6
• SMILES: O=C1CCC=CCN(C(=O)OC(C)(C)C)C(=O)CCC=CCN1C(=O)OC(C)(C)C
• Title of publication: A convenient approach to acyclic unsaturated amino acids via ring-closing metathesis.
• Authors of publication: Hassan, Hani Mutlak A; Brown, Fraser K
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2010
• Journal volume: 46
• Journal issue: 17
• Pages of publication: 3013 - 3015
• a: 9.8608 ± 0.0002 Å
• b: 9.8608 ± 0.0002 Å
• c: 24.3886 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2371.43 ± 0.14 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 4
• Space group number: 78
• Hermann-Mauguin space group symbol: P 43
• Hall space group symbol: P 4cw
• Residual factor for all reflections: 0.0926
• Residual factor for significantly intense reflections: 0.0529
• Weighted residual factors for all reflections: 0.0865
• Weighted residual factors for significantly intense reflections: 0.0681
• Weighted residual factors for all reflections included in the refinement: 0.0865
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9639
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No