Information card for entry 4030104

Structure parameters

• Formula: C38 H27 Cl N2 O3
• Calculated formula: C38 H27 Cl N2 O3
• SMILES: Clc1c2N(C(=O)[C@]3([C@H]([C@@]43C(=O)N(c3c4cccc3)Cc3ccccc3)C(=O)c3ccccc3)c2ccc1)Cc1ccccc1.Clc1c2N(C(=O)[C@@]3([C@@H]([C@]43C(=O)N(c3c4cccc3)Cc3ccccc3)C(=O)c3ccccc3)c2ccc1)Cc1ccccc1
• Title of publication: Diastereoselective Synthesis of Functionalized Spirocyclopropyl Oxindoles via P(NMe2)3-Mediated Reductive Cyclopropanation.
• Authors of publication: Zhou, Rong; Yang, Changjiang; Liu, Yiyi; Li, Ruifeng; He, Zhengjie
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2014
• Journal volume: 79
• Journal issue: 21
• Pages of publication: 10709
• a: 32.422 ± 0.007 Å
• b: 10.444 ± 0.002 Å
• c: 22.801 ± 0.005 Å
• α: 90°
• β: 123.04 ± 0.03°
• γ: 90°
• Cell volume: 6472 ± 3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1052
• Residual factor for significantly intense reflections: 0.0776
• Weighted residual factors for significantly intense reflections: 0.1909
• Weighted residual factors for all reflections included in the refinement: 0.2083
• Goodness-of-fit parameter for all reflections included in the refinement: 1.104
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No