Information card for entry 7119327

Structure parameters

• Formula: C18 H16 F N O
• Calculated formula: C18 H16 F N O
• SMILES: C1(CF)(c2ccccc2)N=C(C=C(C)O1)c1ccccc1
• Title of publication: Gold(i)-catalyzed 6-endo-dig azide-yne cyclization: efficient access to 2H-1,3-oxazines.
• Authors of publication: Lonca, Geoffroy Hervé; Tejo, Ciputra; Chan, Hui Ling; Chiba, Shunsuke; Gagosz, Fabien
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2017
• Journal volume: 53
• Journal issue: 4
• Pages of publication: 736 - 739
• a: 9.793 ± 0.0007 Å
• b: 9.5921 ± 0.0006 Å
• c: 15.8816 ± 0.0011 Å
• α: 90°
• β: 98.943 ± 0.003°
• γ: 90°
• Cell volume: 1473.71 ± 0.17 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 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: 0.0954
• Residual factor for significantly intense reflections: 0.0648
• Weighted residual factors for significantly intense reflections: 0.1491
• Weighted residual factors for all reflections included in the refinement: 0.1695
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No