Information card for entry 1575021

Structure parameters

• Formula: C27 H20 F N O6
• Calculated formula: C27 H20 F N O6
• 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: 7.7941 ± 0.0001 Å
• b: 15.0015 ± 0.0002 Å
• c: 18.7462 ± 0.0001 Å
• α: 95.028 ± 0.001°
• β: 94.368 ± 0.001°
• γ: 92.216 ± 0.001°
• Cell volume: 2174.82 ± 0.04 ų
• Cell temperature: 100 ± 0.2 K
• Ambient diffraction temperature: 100 ± 0.2 K
• Number of distinct elements: 5
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0506
• Residual factor for significantly intense reflections: 0.0467
• Weighted residual factors for significantly intense reflections: 0.1301
• Weighted residual factors for all reflections included in the refinement: 0.1335
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No