Information card for entry 7115364

Structure parameters

• Formula: C26.5 H26 Br Cl N2 O5
• Calculated formula: C26.5 H26 Br Cl N2 O5
• SMILES: Brc1ccc2N[C@H]3C(=CC[C@H]([C@@]43C(=O)N(c3c4cccc3)C(=O)OC(C)(C)C)C(=O)OC)c2c1.ClCCl
• Title of publication: Efficient synthesis of carbazolespirooxindole skeletons via asymmetric Diels-Alder reaction of 3-vinylindoles and methyleneindolinones
• Authors of publication: Haifeng Zheng; Peng He; Yangbin Liu; Yulong Zhang; Xiaohua Liu; Lili Lin; Xiaoming Feng
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 8794
• a: 48.787 ± 0.005 Å
• b: 11.8679 ± 0.0007 Å
• c: 9.6762 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5602.5 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293.15 K
• Number of distinct elements: 6
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 2 21
• Hall space group symbol: P 2ac 2ac
• Residual factor for all reflections: 0.1796
• Residual factor for significantly intense reflections: 0.1069
• Weighted residual factors for significantly intense reflections: 0.2378
• Weighted residual factors for all reflections included in the refinement: 0.2797
• Goodness-of-fit parameter for all reflections included in the refinement: 0.953
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No