Information card for entry 1568412

Structure parameters

• Chemical name: Selenanthren
• Formula: C12 H8 Se2
• Calculated formula: C12 H8 Se2
• Title of publication: Pressure-induced room-temperature phosphorescence enhancement based on purely organic molecules with a folded geometry.
• Authors of publication: Yang, Zhiqiang; Fu, Zhiyuan; Liu, Haichao; Wu, Min; Li, Nan; Wang, Kai; Zhang, Shi-Tong; Zou, Bo; Yang, Bing
• Journal of publication: Chemical science
• Year of publication: 2023
• Journal volume: 14
• Journal issue: 10
• Pages of publication: 2640 - 2645
• a: 12.1157 ± 0.0005 Å
• b: 6.2539 ± 0.0003 Å
• c: 14.6 ± 0.0006 Å
• α: 90°
• β: 109.833 ± 0.002°
• γ: 90°
• Cell volume: 1040.63 ± 0.08 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 3
• 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: 0.0253
• Residual factor for significantly intense reflections: 0.0203
• Weighted residual factors for significantly intense reflections: 0.0456
• Weighted residual factors for all reflections included in the refinement: 0.0473
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No