Information card for entry 1572203

Structure parameters

• Formula: C30 H27 F2 N
• Calculated formula: C30 H27 F2 N
• Title of publication: Double strain-release enables formal C-O/C-F and C-N/C-F ring-opening metathesis.
• Authors of publication: Zhu, Yulei; Jia, Jie; Song, Xiangyu; Gong, Chunyu; Xia, Ying
• Journal of publication: Chemical science
• Year of publication: 2024
• Journal volume: 15
• Journal issue: 34
• Pages of publication: 13800 - 13806
• a: 8.2817 ± 0.0006 Å
• b: 12.1775 ± 0.0011 Å
• c: 24.094 ± 0.002 Å
• α: 90°
• β: 94.072 ± 0.003°
• γ: 90°
• Cell volume: 2423.8 ± 0.3 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1264
• Residual factor for significantly intense reflections: 0.0566
• Weighted residual factors for significantly intense reflections: 0.1308
• Weighted residual factors for all reflections included in the refinement: 0.1694
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No