Information card for entry 7134000

Structure parameters

• Formula: C18 H16 O
• Calculated formula: C18 H16 O
• Title of publication: Palladium-catalyzed annulation and intermolecular hydroamination involving norbornene derivatives: synthesis of indanones and N-alkylamines
• Authors of publication: Li, Wenguang; Cheng, Xinfeng; Cao, Man; Sheng, Heyun; Gao, Wenchao; Chen, Ming; Zhang, Xu; Li, Wentao; Yu, Yongqi; Li, Ting
• Journal of publication: Chemical Communications
• Year of publication: 2024
• a: 13.2395 ± 0.0003 Å
• b: 6.47823 ± 0.00015 Å
• c: 15.3111 ± 0.0003 Å
• α: 90°
• β: 96.118 ± 0.002°
• γ: 90°
• Cell volume: 1305.73 ± 0.05 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• 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: 0.0571
• Residual factor for significantly intense reflections: 0.0445
• Weighted residual factors for significantly intense reflections: 0.1191
• Weighted residual factors for all reflections included in the refinement: 0.1313
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No