Information card for entry 7054303

Structure parameters

• Formula: C19 H19 N3 O3
• Calculated formula: C19 H19 N3 O3
• Title of publication: An activated coumarin-enamine Michael acceptor for CN−
• Authors of publication: Davis, Aaron B.; Lambert, Rachel E.; Fronczek, Frank R.; Cragg, Peter J.; Wallace, Karl J.
• Journal of publication: New J. Chem.
• Year of publication: 2014
• Journal volume: 38
• Journal issue: 10
• Pages of publication: 4678
• a: 5.079 ± 0.0004 Å
• b: 12.8141 ± 0.001 Å
• c: 13.2671 ± 0.0009 Å
• α: 70.308 ± 0.005°
• β: 80.767 ± 0.005°
• γ: 88.005 ± 0.005°
• Cell volume: 802.26 ± 0.11 ų
• Cell temperature: 100 ± 0.5 K
• Ambient diffraction temperature: 100 ± 0.5 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0545
• Residual factor for significantly intense reflections: 0.0454
• Weighted residual factors for significantly intense reflections: 0.1301
• Weighted residual factors for all reflections included in the refinement: 0.141
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No