Information card for entry 1555578

Structure parameters

• Formula: C24 H19 N0.25 O3
• Calculated formula: C23 H19 N O3
• SMILES: O=C1C(=CC(O)(N1OCc1ccccc1)c1ccccc1)c1ccccc1
• Title of publication: [3 + 1]- and [3 + 2]-Cycloadditions of Azaoxyallyl Cations and Sulfur Ylides.
• Authors of publication: Li, Chao; Jiang, Kun; Ouyang, Qin; Liu, Tian-Yu; Chen, Ying-Chun
• Journal of publication: Organic letters
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 11
• Pages of publication: 2738 - 2741
• a: 20.6513 ± 0.0013 Å
• b: 5.9284 ± 0.0004 Å
• c: 14.7885 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1810.5 ± 0.2 ų
• Cell temperature: 290.56 ± 0.1 K
• Ambient diffraction temperature: 290.56 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0416
• Residual factor for significantly intense reflections: 0.0375
• Weighted residual factors for significantly intense reflections: 0.0824
• Weighted residual factors for all reflections included in the refinement: 0.0843
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No