Information card for entry 1568268

Structure parameters

• Formula: C29 H30 O5
• Calculated formula: C29 H30 O5
• Title of publication: Asymmetric synthesis of complex tricyclo[3.2.2.0]nonenes from racemic norcaradienes: kinetic resolution <i>via</i> Diels-Alder reaction.
• Authors of publication: Wang, Siyuan; Zhou, Yuqiao; Xiao, Wanlong; Li, Zegong; Liu, Xiaohua; Feng, Xiaoming
• Journal of publication: Chemical science
• Year of publication: 2023
• Journal volume: 14
• Journal issue: 7
• Pages of publication: 1844 - 1851
• a: 9.9702 ± 0.0001 Å
• b: 9.9702 ± 0.0001 Å
• c: 48.7176 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4842.77 ± 0.14 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 3
• Space group number: 96
• Hermann-Mauguin space group symbol: P 43 21 2
• Hall space group symbol: P 4nw 2abw
• Residual factor for all reflections: 0.0279
• Residual factor for significantly intense reflections: 0.0274
• Weighted residual factors for significantly intense reflections: 0.07
• Weighted residual factors for all reflections included in the refinement: 0.0704
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No