Information card for entry 7236915

Structure parameters

• Formula: C14 H11 N3 O2
• Calculated formula: C14 H11 N3 O2
• Title of publication: Design, synthesis, photophysical properties and pH-sensing application of pyrimidine-phthalimide derivatives
• Authors of publication: Yan, Han; Meng, Xinlei; Li, Baoyan; Ge, Shusheng; Lu, Yun
• Journal of publication: J. Mater. Chem. C
• Year of publication: 2017
• Journal volume: 5
• Journal issue: 40
• Pages of publication: 10589
• a: 8.1726 ± 0.0007 Å
• b: 12.0345 ± 0.0012 Å
• c: 14.2401 ± 0.0012 Å
• α: 110.964 ± 0.003°
• β: 103.662 ± 0.003°
• γ: 98.181 ± 0.003°
• Cell volume: 1230.5 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 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 all reflections: 0.1254
• Residual factor for significantly intense reflections: 0.0602
• Weighted residual factors for significantly intense reflections: 0.1005
• Weighted residual factors for all reflections included in the refinement: 0.1184
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No