Information card for entry 7236916

Structure parameters

• Formula: C40 H45 N5 O4
• Calculated formula: C40 H45 N5 O4
• 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: 15.7201 ± 0.0016 Å
• b: 8.3942 ± 0.0006 Å
• c: 26.601 ± 0.002 Å
• α: 90°
• β: 99.639 ± 0.003°
• γ: 90°
• Cell volume: 3460.6 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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 all reflections: 0.1269
• Residual factor for significantly intense reflections: 0.0634
• Weighted residual factors for significantly intense reflections: 0.1319
• Weighted residual factors for all reflections included in the refinement: 0.1568
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No