Information card for entry 7150652

Structure parameters

• Formula: C15 H23 N O5
• Calculated formula: C15 H23 N O5
• SMILES: O1C(OCC([C@@H]1C(=O)NC=C/C=C/C(=O)OC)(C)C)(C)C
• Title of publication: Fast and efficient one step synthesis of dienamides
• Authors of publication: Mathieson, Jennifer E.; Crawford, James J.; Schmidtmann, Marc; Marquez, Rodolfo
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2009
• Journal volume: 7
• Journal issue: 10
• Pages of publication: 2170 - 2175
• a: 6.1541 ± 0.0012 Å
• b: 7.9492 ± 0.0016 Å
• c: 8.6988 ± 0.0017 Å
• α: 71.93 ± 0.03°
• β: 70.89 ± 0.03°
• γ: 83 ± 0.03°
• Cell volume: 382.17 ± 0.16 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0362
• Residual factor for significantly intense reflections: 0.0345
• Weighted residual factors for significantly intense reflections: 0.0933
• Weighted residual factors for all reflections included in the refinement: 0.095
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No