Information card for entry 4020088

Structure parameters

• Formula: C23 H17 N3 O2
• Calculated formula: C23 H17 N3 O2
• Authors of publication: Sun-Liang Cui; Xu-Feng Lin; Yan-Guang Wang
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2005
• Journal volume: 70
• Pages of publication: 2866 - 2869
• a: 12.3996 ± 0.0002 Å
• b: 9.324 ± 0.0001 Å
• c: 33.224 ± 0.0005 Å
• α: 90°
• β: 95.5013 ± 0.0004°
• γ: 90°
• Cell volume: 3823.46 ± 0.09 ų
• Cell temperature: 295.1 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 significantly intense reflections: 0.051
• Weighted residual factors for all reflections included in the refinement: 0.131
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No