Information card for entry 4036137

Structure parameters

• Formula: C30 H27 Br Cl2 N2 O3
• Calculated formula: C30 H27 Br Cl2 N2 O3
• SMILES: Brc1cccc2[C@]3([C@@H](Cc4[nH]c5ccccc5c4[C@H]3C(=O)OCC)c3ccccc3)C(=O)N(c12)C.ClCCl
• Title of publication: Brønsted acid catalyzed asymmetric diels-alder reactions: stereoselective construction of spiro[tetrahydrocarbazole-3,3'-oxindole] framework.
• Authors of publication: Wang, Yang; Tu, Man-Su; Yin, Lei; Sun, Meng; Shi, Feng
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2015
• Journal volume: 80
• Journal issue: 6
• Pages of publication: 3223 - 3232
• a: 9.856 ± 0.004 Å
• b: 15.543 ± 0.007 Å
• c: 17.398 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2665.2 ± 1.9 ų
• Cell temperature: 130 K
• Ambient diffraction temperature: 130 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.091
• Residual factor for significantly intense reflections: 0.0798
• Weighted residual factors for significantly intense reflections: 0.2091
• Weighted residual factors for all reflections included in the refinement: 0.2175
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No