Information card for entry 1518458

Structure parameters

• Formula: C24 H25 N O5
• Calculated formula: C24 H25 N O5
• SMILES: O(C(=O)C1(C(=O)OC)[C@@H](c2c3c([nH]c2[C@H](C1)C=C)cccc3)c1ccccc1)C.O
• 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: 9.0419 ± 0.0001 Å
• b: 12.2803 ± 0.0002 Å
• c: 19.0748 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2118.01 ± 0.05 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0303
• Residual factor for significantly intense reflections: 0.0298
• Weighted residual factors for significantly intense reflections: 0.0823
• Weighted residual factors for all reflections included in the refinement: 0.0829
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No