Information card for entry 7135173

Structure parameters

• Formula: C22 H21 N O3
• Calculated formula: C22 H21 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: 8.50169 ± 0.00019 Å
• b: 27.8458 ± 0.0005 Å
• c: 8.1178 ± 0.00018 Å
• α: 90°
• β: 103.313 ± 0.002°
• γ: 90°
• Cell volume: 1870.13 ± 0.07 ų
• Cell temperature: 220.01 ± 0.1 K
• Ambient diffraction temperature: 220.01 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0522
• Residual factor for significantly intense reflections: 0.0451
• Weighted residual factors for significantly intense reflections: 0.1253
• Weighted residual factors for all reflections included in the refinement: 0.1323
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No