Information card for entry 1514345

Structure parameters

• Formula: C24 H23 Br N2 O7
• Calculated formula: C24 H23 Br N2 O7
• SMILES: Brc1cc2C(=O)[C@]3(N(c2cc1)C[C@H]([C@H](N(=O)=O)[C@H]3c1ccccc1)CC(=O)OCC)C(=O)OC
• Title of publication: Organocatalytic Asymmetric Michael-Michael Cascade for the Construction of Highly Functionalized N-Fused Piperidinoindoline Derivatives.
• Authors of publication: Zhao, Yong-Long; Wang, Yao; Cao, Jian; Liang, Yong-Min; Xu, Peng-Fei
• Journal of publication: Organic letters
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 9
• Pages of publication: 2438 - 2441
• a: 9.6196 ± 0.0005 Å
• b: 14.4057 ± 0.0012 Å
• c: 17.108 ± 0.009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2370.8 ± 1.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0919
• Residual factor for significantly intense reflections: 0.053
• Weighted residual factors for significantly intense reflections: 0.0798
• Weighted residual factors for all reflections included in the refinement: 0.0985
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No