Information card for entry 7224525

Structure parameters

• Formula: C19 H17 N O2
• Calculated formula: C19 H17 N O2
• SMILES: o1c(cc2[C@@H]3C[C@H]([C@]4(C(=O)N(c5c4cccc5)C)c12)C=C3)C.o1c(cc2[C@H]3C[C@@H]([C@@]4(C(=O)N(c5c4cccc5)C)c12)C=C3)C
• Title of publication: Mg(ClO4)2-Promoted [4 + 3] Cycloaddition of Oxindole Derivatives with Conjugated Dienes: Concise Synthesis of Spirocycloheptane Oxindole Derivatives
• Authors of publication: Liu, Yun; Sun, Zhou; Li, Song; Xiang, Kuirong; Zhang, Yuan; Li, Ying
• Journal of publication: RSC Adv.
• Year of publication: 2016
• a: 16.9806 ± 0.0005 Å
• b: 8.6168 ± 0.0002 Å
• c: 20.4475 ± 0.0006 Å
• α: 90°
• β: 98.426 ± 0.003°
• γ: 90°
• Cell volume: 2959.55 ± 0.14 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.068
• Residual factor for significantly intense reflections: 0.0639
• Weighted residual factors for significantly intense reflections: 0.1709
• Weighted residual factors for all reflections included in the refinement: 0.178
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No