Information card for entry 4035070

Structure parameters

• Formula: C30 H24 N2 O5
• Calculated formula: C30 H24 N2 O5
• SMILES: O(C(=O)[C@H]1[C@@]2(C(=O)N(c3ccccc23)C)[C@@]2(c3c(N(C2=O)C)cccc3)C(C(=O)c2ccccc2)=C1)C
• Title of publication: Asymmetric [3 + 2] Cycloaddition Reaction of Isatin-Derived MBH Carbonates with 3-Methyleneoxindoles: Enantioselective Synthesis of 3,3'-Cyclopentenyldispirooxindoles Incorporating Two Adjacent Quaternary Spirostereocenters.
• Authors of publication: Chen, Yu; Cui, Bao-Dong; Wang, Yi; Han, Wen-Yong; Wan, Nan-Wei; Bai, Mei; Yuan, Wei-Cheng; Chen, Yong-Zheng
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2018
• Journal volume: 83
• Journal issue: 17
• Pages of publication: 10465 - 10475
• a: 8.98962 ± 0.00008 Å
• b: 9.4394 ± 0.00012 Å
• c: 14.40897 ± 0.00012 Å
• α: 90°
• β: 94.9113 ± 0.0008°
• γ: 90°
• Cell volume: 1218.21 ± 0.02 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 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: 0.0438
• Residual factor for significantly intense reflections: 0.0429
• Weighted residual factors for significantly intense reflections: 0.1152
• Weighted residual factors for all reflections included in the refinement: 0.1161
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No