Information card for entry 7045534

Structure parameters

• Formula: C25 H45 F6 N2 O10 P
• Calculated formula: C25 H45 F6 N2 O10 P
• Title of publication: Reversible phase transition and switchable dielectric behaviors triggered by rotation and order-disorder motions of crowns.
• Authors of publication: Liu, Yi; Zhou, Hai-Tao; Chen, Shao-Peng; Tan, Yu-Hui; Wang, Chang-Feng; Yang, Chang-Shan; Wen, He-Rui; Tang, Yun-Zhi
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 11
• Pages of publication: 3851 - 3856
• a: 10.8694 ± 0.0006 Å
• b: 11.1391 ± 0.0006 Å
• c: 16.089 ± 0.0009 Å
• α: 84.665 ± 0.001°
• β: 73.545 ± 0.001°
• γ: 62.101 ± 0.001°
• Cell volume: 1649.26 ± 0.16 ų
• Cell temperature: 299 ± 2 K
• Ambient diffraction temperature: 299 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1535
• Residual factor for significantly intense reflections: 0.1185
• Weighted residual factors for significantly intense reflections: 0.3752
• Weighted residual factors for all reflections included in the refinement: 0.4168
• Goodness-of-fit parameter for all reflections included in the refinement: 1.671
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No