Information card for entry 1520727

Structure parameters

• Formula: C28 H23 F3 N2 O3
• Calculated formula: C28 H23 F3 N2 O3
• Title of publication: Brine-Stabilized 2,2,2-Trifluorodiazoethane and Its Application in the Synthesis of CF3-Substituted Cyclopropane α-Amino Acids.
• Authors of publication: Zhu, Chuan-Le; Yang, Li-Jun; Li, Shen; Zheng, Yan; Ma, Jun-An
• Journal of publication: Organic letters
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 14
• Pages of publication: 3442 - 3445
• a: 8.882 ± 0.006 Å
• b: 10.743 ± 0.009 Å
• c: 14.629 ± 0.013 Å
• α: 87 ± 0.03°
• β: 76.43 ± 0.03°
• γ: 65.66 ± 0.02°
• Cell volume: 1234.8 ± 1.7 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1119
• Residual factor for significantly intense reflections: 0.0622
• Weighted residual factors for significantly intense reflections: 0.1536
• Weighted residual factors for all reflections included in the refinement: 0.1916
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No