Information card for entry 1573319

Structure parameters

• Chemical name: 4-[2-(4-Hydroxyphenyl)ethyl]-4-azatetracyclo[5.3.2.0^2,6^.0^8,10^]dodec-11-ene-3,5-dione
• Formula: C19 H19 N O3
• Calculated formula: C19 H19 N O3
• a: 6.19482 ± 0.0001 Å
• b: 20.3854 ± 0.0003 Å
• c: 12.4574 ± 0.0002 Å
• α: 90°
• β: 103.333 ± 0.0016°
• γ: 90°
• Cell volume: 1530.76 ± 0.04 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 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 all reflections: 0.0437
• Residual factor for significantly intense reflections: 0.0369
• Weighted residual factors for significantly intense reflections: 0.0939
• Weighted residual factors for all reflections included in the refinement: 0.0985
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No