Information card for entry 7117317

Structure parameters

• Formula: C30 H30 N2 O4
• Calculated formula: C30 H30 N2 O4
• SMILES: O=C1Nc2c(cccc2)[C@]1([C@@H]1C(=O)N(C(=O)C1)c1ccccc1C(C)(C)C)Cc1cc(OC)ccc1
• Title of publication: Catalytic asymmetric desymmetrization of N-arylmaleimides: efficient construction of both atom chirality and axial chirality
• Authors of publication: Jianlin Zhang; Yulong Zhang; Lili Lin; Qian Yao; Xiaohua Liu; Xiaoming Feng
• Journal of publication: Chem.Commun.
• Year of publication: 2015
• Journal volume: 51
• Pages of publication: 10554
• a: 17.4485 ± 0.0002 Å
• b: 17.4485 ± 0.0002 Å
• c: 16.711 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5087.67 ± 0.12 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 80
• Hermann-Mauguin space group symbol: I 41
• Hall space group symbol: I 4bw
• Residual factor for all reflections: 0.0559
• Residual factor for significantly intense reflections: 0.0544
• Weighted residual factors for significantly intense reflections: 0.1461
• Weighted residual factors for all reflections included in the refinement: 0.1487
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No