Information card for entry 7123331

Structure parameters

• Formula: C16 H18 N2 O
• Calculated formula: C16 H18 N2 O
• Title of publication: Multifunctional Isoquinoline-Oxazolines Ligands of Chemical and Biological Importance
• Authors of publication: Li, Wei; Wang, Guotong; Lai, Jixing; Li, Shengkun
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 8.9265 ± 0.0009 Å
• b: 11.5664 ± 0.0009 Å
• c: 12.9594 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1338.03 ± 0.19 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0557
• Residual factor for significantly intense reflections: 0.0459
• Weighted residual factors for significantly intense reflections: 0.0965
• Weighted residual factors for all reflections included in the refinement: 0.1034
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No