Information card for entry 1575585

Structure parameters

• Formula: C27 H22 O2
• Calculated formula: C27 H22 O2
• Title of publication: Regiodivergent Lewis acid catalysis of bicyclo[1.1.0]butanes with 2-naphthols.
• Authors of publication: Fan, Lin; Wang, Pengyang; He, Chang; Chen, Xiaoyu; Dai, Linlong; Xiong, Daokai; Zhong, Guofu
• Journal of publication: Chemical science
• Year of publication: 2025
• Journal volume: 16
• Journal issue: 39
• Pages of publication: 18255 - 18262
• a: 6.5568 ± 0.001 Å
• b: 22.582 ± 0.004 Å
• c: 13.2604 ± 0.0019 Å
• α: 90°
• β: 93.006 ± 0.006°
• γ: 90°
• Cell volume: 1960.7 ± 0.5 ų
• Cell temperature: 300 K
• Ambient diffraction temperature: 300 K
• Number of distinct elements: 3
• 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: 0.0626
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.1089
• Weighted residual factors for all reflections included in the refinement: 0.1227
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No