Information card for entry 1555521

Structure parameters

• Formula: C23 H16 F2 N4 O2
• Calculated formula: C23 H16 F2 N4 O2
• SMILES: Fc1ccc([C@H]2N=C(C(=O)O[C@H]2[C@@H](N=N#N)c2ccc(F)cc2)c2ccccc2)cc1
• Title of publication: Asymmetric Intramolecular Desymmetrization of meso-α,α'-Diazido Alcohols with Aryldiazoacetates: Assembly of Chiral C3 Fragments with Three Continuous Stereocenters.
• Authors of publication: Qiao, Jin-Bao; Zhao, Yu-Ming; Gu, Peiming
• Journal of publication: Organic letters
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 9
• Pages of publication: 1984 - 1987
• a: 7.8577 ± 0.0006 Å
• b: 14.9042 ± 0.0008 Å
• c: 9.3787 ± 0.0007 Å
• α: 90°
• β: 113.529 ± 0.009°
• γ: 90°
• Cell volume: 1007.05 ± 0.14 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0362
• Residual factor for significantly intense reflections: 0.0319
• Weighted residual factors for significantly intense reflections: 0.0763
• Weighted residual factors for all reflections included in the refinement: 0.08
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No