Information card for entry 7122509

Structure parameters

• Formula: C12 H18 N3 O7 P
• Calculated formula: C12 H18 N3 O7 P
• Title of publication: Molecular design of high-temperature organic dielectric switches.
• Authors of publication: Zhou, Lin; Shi, Ping-Ping; Zheng, Xuan; Geng, Fu-Juan; Ye, Qiong; Fu, Da-Wei
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 93
• Pages of publication: 13111 - 13114
• a: 7.0034 ± 0.0014 Å
• b: 19.672 ± 0.004 Å
• c: 12.38 ± 0.003 Å
• α: 90°
• β: 105.85 ± 0.03°
• γ: 90°
• Cell volume: 1640.8 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.1183
• Residual factor for significantly intense reflections: 0.0781
• Weighted residual factors for significantly intense reflections: 0.1878
• Weighted residual factors for all reflections included in the refinement: 0.2043
• Goodness-of-fit parameter for all reflections included in the refinement: 1.198
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No