Information card for entry 1518461

Structure parameters

• Formula: C24 H21 Cl2 N O4
• Calculated formula: C24 H21 Cl2 N O4
• SMILES: Clc1cc2[C@@]3([C@@H]([C@](C[C@@H]3C=C)(C(=O)O)C(=O)OC)c3ccc(Cl)cc3)C(=Nc2cc1)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: 21.3083 ± 0.0015 Å
• b: 16.6395 ± 0.0006 Å
• c: 17.8923 ± 0.0007 Å
• α: 90°
• β: 118.967 ± 0.004°
• γ: 90°
• Cell volume: 5550.3 ± 0.5 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 5
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0845
• Residual factor for significantly intense reflections: 0.054
• Weighted residual factors for significantly intense reflections: 0.1342
• Weighted residual factors for all reflections included in the refinement: 0.1464
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No