Information card for entry 1518459

Structure parameters

• Formula: C24 H23 N O4
• Calculated formula: C24 H23 N O4
• SMILES: O(C(=O)C1([C@@H]([C@]2([C@@H](C1)C=C)c1ccccc1N=C2)c1ccccc1)C(=O)OC)C.O(C(=O)C1([C@H]([C@@]2([C@H](C1)C=C)c1ccccc1N=C2)c1ccccc1)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: 9.6257 ± 0.0001 Å
• b: 24.6776 ± 0.0002 Å
• c: 9.1983 ± 0.0001 Å
• α: 90°
• β: 108.936 ± 0.001°
• γ: 90°
• Cell volume: 2066.71 ± 0.04 ų
• Cell temperature: 290 ± 2 K
• Ambient diffraction temperature: 290 ± 2 K
• Number of distinct elements: 4
• 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: 0.0403
• Residual factor for significantly intense reflections: 0.0384
• Weighted residual factors for significantly intense reflections: 0.1062
• Weighted residual factors for all reflections included in the refinement: 0.1081
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No