Information card for entry 7105645

Structure parameters

• Formula: C27 H22 Br N O2
• Calculated formula: C27 H22 Br N O2
• SMILES: Brc1ccc([C@@H]2[C@@]3(c4c(N(C3=O)Cc3ccccc3)cccc4)C(=CC(=O)C2)C)cc1
• Title of publication: Highly organocatalytic asymmetric Michael-ketone aldol-dehydration domino reaction: straightforward approach to construct six-membered spirocyclic oxindoles.
• Authors of publication: Wang, Liang-Liang; Peng, Lin; Bai, Jian-Fei; Huang, Qing-Chun; Xu, Xiao-Ying; Wang, Li-Xin
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2010
• Journal volume: 46
• Journal issue: 42
• Pages of publication: 8064 - 8066
• a: 14.772 ± 0.002 Å
• b: 11.1689 ± 0.0017 Å
• c: 13.281 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2191.2 ± 0.6 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 5
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.038
• Residual factor for significantly intense reflections: 0.0296
• Weighted residual factors for significantly intense reflections: 0.0418
• Weighted residual factors for all reflections included in the refinement: 0.0427
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No