Information card for entry 1564540

Structure parameters

• Formula: C40 H53 N O2
• Calculated formula: C40 H53 N O2
• SMILES: O(C(=O)n1c2c(c3c1cccc3)cccc2)[C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC[C@]2([C@H]3CC[C@@H]2[C@H](C)CCCC(C)C)C)C1)C
• 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: 19.8231 ± 0.0007 Å
• b: 7.5996 ± 0.0002 Å
• c: 24.2836 ± 0.0008 Å
• α: 90°
• β: 112.008 ± 0.004°
• γ: 90°
• Cell volume: 3391.7 ± 0.2 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0768
• Residual factor for significantly intense reflections: 0.0727
• Weighted residual factors for significantly intense reflections: 0.2107
• Weighted residual factors for all reflections included in the refinement: 0.2171
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No