Information card for entry 1575023

Structure parameters

• Formula: C48 H38 Br2 O10
• Calculated formula: C48 H38 Br2 O10
• Title of publication: Carbene-catalyzed enantioselective construction of a quasi-symmetrical spirocyclic hydroquinone with a minor chiral distinction
• Authors of publication: Ren, Panlong; Zhao, Qing; Chi, Yonggui Robin; Zhu, Tingshun
• Journal of publication: Chemical Science
• Year of publication: 2025
• Journal volume: 16
• Journal issue: 20
• Pages of publication: 8940 - 8945
• a: 13.3142 ± 0.0002 Å
• b: 7.8396 ± 0.0001 Å
• c: 19.8412 ± 0.0003 Å
• α: 90°
• β: 108.449 ± 0.002°
• γ: 90°
• Cell volume: 1964.55 ± 0.05 ų
• Cell temperature: 100 ± 0.4 K
• Ambient diffraction temperature: 100 ± 0.4 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: 0.0362
• Residual factor for significantly intense reflections: 0.0356
• Weighted residual factors for significantly intense reflections: 0.0943
• Weighted residual factors for all reflections included in the refinement: 0.0947
• 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