Information card for entry 2004467

Structure parameters

• Formula: C18 H19 N O4
• Calculated formula: C19 H20 N O4
• Title of publication: An Orange Form of Coumarin 314
• Authors of publication: Honda, T.; Fujii, I.; Hirayama, N.; Aoyama, N.; Miike, A.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 2
• Pages of publication: 395 - 397
• a: 12.266 ± 0.001 Å
• b: 11.879 ± 0.001 Å
• c: 10.412 ± 0.002 Å
• α: 90°
• β: 93.76 ± 0.01°
• γ: 90°
• Cell volume: 1513.8 ± 0.3 ų
• Cell temperature: 297 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.055
• Weighted residual factors for significantly intense reflections: 0.089
• Goodness-of-fit parameter for significantly intense reflections: 4.29
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No