Information card for entry 1518460

Structure parameters

• Formula: C25 H25 N O4
• Calculated formula: C25 H25 N O4
• SMILES: O(C(=O)C1(C[C@@H]([C@@]2([C@@H]1c1ccccc1)c1ccccc1N=C2C)C=C)C(=O)OC)C
• Title of publication: Palladium-catalyzed asymmetric cycloadditions of vinylcyclopropanes and in situ formed unsaturated imines: construction of structurally and optically enriched spiroindolenines.
• Authors of publication: Liu, Ze-Shui; Li, Wen-Ke; Kang, Tai-Ran; He, Long; Liu, Quan-Zhong
• Journal of publication: Organic letters
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 1
• Pages of publication: 150 - 153
• a: 10.1067 ± 0.0002 Å
• b: 11.5787 ± 0.0003 Å
• c: 19.2079 ± 0.0005 Å
• α: 83.811 ± 0.002°
• β: 82.159 ± 0.002°
• γ: 76.354 ± 0.002°
• Cell volume: 2157.2 ± 0.09 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0436
• Residual factor for significantly intense reflections: 0.0412
• Weighted residual factors for significantly intense reflections: 0.1115
• Weighted residual factors for all reflections included in the refinement: 0.114
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No