Information card for entry 7244378

Structure parameters

• Formula: C9 H12 F9 O P
• Calculated formula: C9 H12 F9 O P
• Title of publication: PO(CH2CH2CF3)3: an organic ultraviolet nonlinear optical material without any anionic group
• Authors of publication: Lin, Liting; Li, Xiaoqian; Qian, Kun; Cheng, Lin; Zhong, Youquan; Xu, Hua
• Journal of publication: RSC Advances
• Year of publication: 2022
• Journal volume: 12
• Journal issue: 8
• Pages of publication: 4955 - 4960
• a: 15.3547 ± 0.0005 Å
• b: 15.3547 ± 0.0005 Å
• c: 10.0767 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 2057.46 ± 0.14 ų
• Cell temperature: 296.15 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 5
• Space group number: 161
• Hermann-Mauguin space group symbol: R 3 c :H
• Hall space group symbol: R 3 -2"c
• Residual factor for all reflections: 0.0408
• Residual factor for significantly intense reflections: 0.0378
• Weighted residual factors for significantly intense reflections: 0.107
• Weighted residual factors for all reflections included in the refinement: 0.1095
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0258
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No