Information card for entry 1567388

Structure parameters

• Formula: C12 H22 N O3
• Calculated formula: C12 H22 N O3
• Title of publication: A nonconjugated radical polymer with stable red luminescence in the solid state.
• Authors of publication: Wang, Zhaoyu; Zou, Xinhui; Xie, Yi; Zhang, Haoke; Hu, Lianrui; Chan, Christopher C. S.; Zhang, Ruoyao; Guo, Jing; Kwok, Ryan T. K.; Lam, Jacky W. Y.; Williams, Ian D.; Zeng, Zebing; Wong, Kam Sing; Sherrill, C. David; Ye, Ruquan; Tang, Ben Zhong
• Journal of publication: Materials horizons
• Year of publication: 2022
• Journal volume: 9
• Journal issue: 10
• Pages of publication: 2564 - 2571
• a: 5.8166 ± 0.0001 Å
• b: 11.4718 ± 0.0002 Å
• c: 9.5696 ± 0.0002 Å
• α: 90°
• β: 103.897 ± 0.002°
• γ: 90°
• Cell volume: 619.86 ± 0.02 ų
• Cell temperature: 100.2 ± 0.8 K
• Ambient diffraction temperature: 100.2 ± 0.8 K
• Number of distinct elements: 4
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.0368
• Residual factor for significantly intense reflections: 0.0357
• Weighted residual factors for significantly intense reflections: 0.0924
• Weighted residual factors for all reflections included in the refinement: 0.0931
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No