Information card for entry 7157054

Structure parameters

• Formula: C33 H30 Br N O6
• Calculated formula: C33 H30 Br N O6
• Title of publication: An asymmetric iminium ion catalysis-enabled cascade cycloaddition reaction of chromone-oxindole synthons with enals: construction of a spirooxindole-hexahydroxanthone framework.
• Authors of publication: Zhang, Wen-Hui; Zhou, Yan-You; He, Xue-Wen; Gong, Yi; Liu, Xiong-Li; Zhou, Ying
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2019
• Journal volume: 17
• Journal issue: 36
• Pages of publication: 8369 - 8373
• a: 8.1114 ± 0.0012 Å
• b: 35.404 ± 0.003 Å
• c: 9.9824 ± 0.0015 Å
• α: 90°
• β: 104.195 ± 0.016°
• γ: 90°
• Cell volume: 2779.2 ± 0.7 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1422
• Residual factor for significantly intense reflections: 0.0809
• Weighted residual factors for significantly intense reflections: 0.1684
• Weighted residual factors for all reflections included in the refinement: 0.2052
• 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