Information card for entry 7105486

Structure parameters

• Formula: C11 H19 N O4
• Calculated formula: C11 H19 N O4
• SMILES: O(C(C)(C)C)C(=O)NC/C=C\CCC(=O)O
• 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: 21.933 ± 0.004 Å
• b: 5.605 ± 0.0009 Å
• c: 10.1718 ± 0.0017 Å
• α: 90°
• β: 98.548 ± 0.003°
• γ: 90°
• Cell volume: 1236.6 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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: 0.0708
• Residual factor for significantly intense reflections: 0.0499
• Weighted residual factors for significantly intense reflections: 0.1144
• Weighted residual factors for all reflections included in the refinement: 0.1232
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No