Information card for entry 7152074

Structure parameters

• Formula: C19 H23 N O5
• Calculated formula: C19 H23 N O5
• SMILES: O(C(C)(C)C)C(=O)N1CCC[C@H]1c1cc(=O)oc2cc(OC)ccc12
• Title of publication: A facile transformation of amino acids to functionalized coumarins.
• Authors of publication: Bandyopadhyay, Anupam; Gopi, Hosahudya N.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2011
• Journal volume: 9
• Journal issue: 23
• Pages of publication: 8089 - 8095
• a: 16.779 ± 0.003 Å
• b: 10.0638 ± 0.0017 Å
• c: 11.0022 ± 0.0019 Å
• α: 90°
• β: 103.905 ± 0.004°
• γ: 90°
• Cell volume: 1803.4 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0409
• Residual factor for significantly intense reflections: 0.0355
• Weighted residual factors for significantly intense reflections: 0.0896
• Weighted residual factors for all reflections included in the refinement: 0.0936
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No