Information card for entry 4026609

Structure parameters

• Formula: C16 H15 F6 N2 O4 P
• Calculated formula: C16 H15 F6 N2 O4 P
• Title of publication: Role of Anions in the Synthesis of Cyclobutane Derivatives via [2 + 2] Cycloaddition Reaction in the Solid State and Their Isomerization in Solution
• Authors of publication: Goutam Kumar Kole; Geok Kheng Tan; Jagadese J. Vittal
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2011
• Journal volume: 76
• Pages of publication: 7860 - 7865
• a: 5.0962 ± 0.0003 Å
• b: 15.5577 ± 0.001 Å
• c: 11.4752 ± 0.0008 Å
• α: 90°
• β: 95.944 ± 0.001°
• γ: 90°
• Cell volume: 904.92 ± 0.1 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0493
• Residual factor for significantly intense reflections: 0.0464
• Weighted residual factors for significantly intense reflections: 0.1221
• Weighted residual factors for all reflections included in the refinement: 0.1246
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No