Information card for entry 2208873

Structure parameters

• Chemical name: 3-Acetyl-7-(diethylamino)coumarin
• Formula: C15 H17 N O3
• Calculated formula: C15 H17 N O3
• SMILES: CCN(c1ccc2c(c1)oc(=O)c(c2)C(=O)C)CC
• Title of publication: 3-Acetyl-7-(diethylamino)coumarin
• Authors of publication: Hamaker, Christopher G.; McCully, Charles S.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 5
• Pages of publication: o2072 - o2074
• a: 17.269 ± 0.002 Å
• b: 7.5203 ± 0.0008 Å
• c: 22.0868 ± 0.001 Å
• α: 90°
• β: 108.524 ± 0.007°
• γ: 90°
• Cell volume: 2719.8 ± 0.5 ų
• Cell temperature: 297 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for all reflections included in the refinement: 0.1992
• Goodness-of-fit parameter for all reflections included in the refinement: 1.184
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes