Information card for entry 1551651

Structure parameters

• Formula: C16 H16 N2 O3
• Calculated formula: C16 H16 N2 O3
• SMILES: o1c(=O)c(cc2ccc(N(CC)CC)cc12)c1ocnc1
• Title of publication: Crystal Structure of 7-(Diethylamino)-3-(oxazol-5-yl)coumarin
• Authors of publication: KUBO, Kanji; MATSUMOTO, Taisuke; TAKECHI, Haruko
• Journal of publication: X-ray Structure Analysis Online
• Year of publication: 2014
• Journal volume: 30
• Journal issue: 0
• Pages of publication: 21
• a: 7.431 ± 0.002 Å
• b: 9.09 ± 0.003 Å
• c: 11.252 ± 0.003 Å
• α: 105.51 ± 0.003°
• β: 93.332 ± 0.002°
• γ: 111.009 ± 0.003°
• Cell volume: 673.6 ± 0.3 ų
• Cell temperature: 123.1 K
• Ambient diffraction temperature: 123.1 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 significantly intense reflections: 0.0418
• Weighted residual factors for all reflections included in the refinement: 0.1094
• Goodness-of-fit parameter for all reflections included in the refinement: 1.101
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No