Information card for entry 1545656

Structure parameters

• Formula: C37 H29 Br N2 O2
• Calculated formula: C37 H29 Br N2 O2
• SMILES: Brc1ccc(C(=O)[C@@H]2[C@@]3(N[C@H](c4ccccc4)[C@H]2c2ccccc2)c2c(N(C3=O)Cc3ccccc3)cccc2)cc1
• Title of publication: Asymmetric [3 + 2] Cycloaddition of 3-Amino Oxindole-Based Azomethine Ylides and α,β-Enones with Divergent Diastereocontrol on the Spiro[pyrrolidine-oxindoles].
• Authors of publication: Zhu, Guodong; Wei, Qian; Chen, Hongbo; Zhang, Yanpeng; Shen, Wen; Qu, Jingping; Wang, Baomin
• Journal of publication: Organic letters
• Year of publication: 2017
• Journal volume: 19
• Journal issue: 7
• Pages of publication: 1862 - 1865
• a: 10.0039 ± 0.0012 Å
• b: 11.6625 ± 0.0013 Å
• c: 25.912 ± 0.003 Å
• α: 90°
• β: 94.479 ± 0.003°
• γ: 90°
• Cell volume: 3013.9 ± 0.6 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0591
• Residual factor for significantly intense reflections: 0.0424
• Weighted residual factors for significantly intense reflections: 0.1041
• Weighted residual factors for all reflections included in the refinement: 0.1103
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No