Information card for entry 7135174

Structure parameters

• Formula: C20 H17 N O3
• Calculated formula: C20 H17 N O3
• Title of publication: Manipulating RTP properties of the same organic molecule by polymorphic engineering.
• Authors of publication: Wang, Deliang; Wu, Hongzhuo; Lin, Songwang; Wang, Kangfan; Wang, Dong; Xiong, Yu; Tang, Ben Zhong
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2025
• a: 8.1669 ± 0.0005 Å
• b: 26.4699 ± 0.0016 Å
• c: 15.7893 ± 0.001 Å
• α: 90°
• β: 104.465 ± 0.007°
• γ: 90°
• Cell volume: 3305.1 ± 0.4 ų
• Cell temperature: 173 ± 0.1 K
• Ambient diffraction temperature: 173 ± 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: 0.0983
• Residual factor for significantly intense reflections: 0.0604
• Weighted residual factors for significantly intense reflections: 0.1196
• Weighted residual factors for all reflections included in the refinement: 0.1411
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No