Information card for entry 1564539

Structure parameters

• Formula: C40 H53 N O2
• Calculated formula: C40 H53 N O2
• Title of publication: Controllable room temperature phosphorescence, mechanoluminescence and polymorphism of a carbazole derivative.
• Authors of publication: Zhang, Hongyan; Ma, Huili; Huang, Wenbin; Gong, Wenqi; He, Zikai; Huang, Guangxi; Li, Bing Shi; Tang, Ben Zhong
• Journal of publication: Materials horizons
• Year of publication: 2021
• Journal volume: 8
• Journal issue: 10
• Pages of publication: 2816 - 2822
• a: 14.806 ± 0.0007 Å
• b: 15.4949 ± 0.0007 Å
• c: 17.248 ± 0.0008 Å
• α: 111.348 ± 0.001°
• β: 112.174 ± 0.001°
• γ: 95.359 ± 0.001°
• Cell volume: 3288.5 ± 0.3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0501
• Residual factor for significantly intense reflections: 0.0411
• Weighted residual factors for significantly intense reflections: 0.101
• Weighted residual factors for all reflections included in the refinement: 0.1073
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No