Information card for entry 4518854

Structure parameters

• Formula: C17 H15 F3 O
• Calculated formula: C17 H15 F3 O
• SMILES: C([C@@]1(C[C@H]1c1ccccc1)c1ccc(cc1)OC)(F)(F)F
• Title of publication: Fluoroalkyl N-Triftosylhydrazones as Easily Decomposable Diazo Surrogates for Asymmetric [2 + 1] Cycloaddition: Synthesis of Chiral Fluoroalkyl Cyclopropenes and Cyclopropanes
• Authors of publication: Zhang, Xinyu; Tian, Chunqi; Wang, Zhanjing; Sivaguru, Paramasivam; Nolan, Steven P.; Bi, Xihe
• Journal of publication: ACS Catalysis
• Year of publication: 2021
• Pages of publication: 8527 - 8537
• a: 9.2006 ± 0.0011 Å
• b: 6.3392 ± 0.0012 Å
• c: 12.694 ± 0.0018 Å
• α: 90°
• β: 94.419 ± 0.012°
• γ: 90°
• Cell volume: 738.2 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0779
• Residual factor for significantly intense reflections: 0.0424
• Weighted residual factors for significantly intense reflections: 0.0818
• Weighted residual factors for all reflections included in the refinement: 0.1018
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No