Information card for entry 4032456

Structure parameters

• Formula: C44 H43 N3 O3
• Calculated formula: C44 H43 N3 O3
• SMILES: O=C1N(c2c([C@]31N[C@@H]([C@@H]([C@H]3c1ccccc1)C1=Nc3c(C1(C)C)cccc3)c1ccccc1)cccc2)Cc1ccccc1.O(C(=O)C)CC.O=C1N(c2c([C@@]31N[C@H]([C@H]([C@@H]3c1ccccc1)C1=Nc3c(C1(C)C)cccc3)c1ccccc1)cccc2)Cc1ccccc1.O(C(=O)C)CC
• Title of publication: Assembly of Indolenines, 3-Amino Oxindoles, and Aldehydes into Indolenine-Substituted Spiro[pyrrolidin-2,3'-oxindoles] via 1,3-Dipolar Cycloaddition with Divergent Diastereoselectivities.
• Authors of publication: Zhu, Guodong; Liu, Siyuan; Wu, Shiqi; Peng, Lianghong; Qu, Jingping; Wang, Baomin
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2017
• Journal volume: 82
• Journal issue: 8
• Pages of publication: 4317 - 4327
• a: 9.9514 ± 0.0002 Å
• b: 12.1514 ± 0.0003 Å
• c: 16.6468 ± 0.0003 Å
• α: 109.612 ± 0.001°
• β: 93.845 ± 0.001°
• γ: 106.074 ± 0.001°
• Cell volume: 1793.39 ± 0.07 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.059
• Residual factor for significantly intense reflections: 0.0504
• Weighted residual factors for significantly intense reflections: 0.1354
• Weighted residual factors for all reflections included in the refinement: 0.1425
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No