Information card for entry 2000551

Structure parameters

• Formula: C14 H14 F3 N O2
• Calculated formula: C14 H14 F3 N O2
• SMILES: CCN(c1ccc2c(c1)oc(=O)cc2C(F)(F)F)CC
• Title of publication: Structure of 7-diethylamino-4-trifluoromethylcoumarin
• Authors of publication: Chinnakali, K.; Sivakumar, K.; Natarajan, S.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1992
• Journal volume: 48
• Journal issue: 10
• Pages of publication: 1859 - 1862
• a: 14.392 ± 0.002 Å
• b: 18.837 ± 0.003 Å
• c: 10.191 ± 0.002 Å
• α: 90.15 ± 0.02°
• β: 98.72 ± 0.02°
• γ: 85.49 ± 0.02°
• Cell volume: 2722.3 ± 0.8 ų
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: Mo
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No