Information card for entry 1555693

Structure parameters

• Formula: C36 H36 N2 O3
• Calculated formula: C36 H36 N2 O3
• SMILES: [C@]12([C@H](c3ccccc3)N[C@@H]([C@H]1c1ccccc1)C(=O)OC(C)(C)C)c1cc(ccc1N(C2=O)Cc1ccccc1)C
• Title of publication: Thiourea-Quaternary Ammonium Salt Catalyzed Asymmetric 1, 3-Dipolar Cycloaddition of Imino Esters To Construct Spiro[pyrrolidin-3,3'-oxindoles].
• Authors of publication: Zhang, Jia-Xing; Wang, Hong-Yu; Jin, Qiao-Wen; Zheng, Chang-Wu; Zhao, Gang; Shang, Yong-Jia
• Journal of publication: Organic letters
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 19
• Pages of publication: 4774 - 4777
• a: 11.3376 ± 0.0003 Å
• b: 9.2055 ± 0.0002 Å
• c: 14.8038 ± 0.0004 Å
• α: 90°
• β: 106.365 ± 0.001°
• γ: 90°
• Cell volume: 1482.45 ± 0.07 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0309
• Residual factor for significantly intense reflections: 0.0294
• Weighted residual factors for significantly intense reflections: 0.0751
• Weighted residual factors for all reflections included in the refinement: 0.0764
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No