Information card for entry 1574097

Structure parameters

• Formula: C14 H17 N O
• Calculated formula: C14 H17 N O
• Title of publication: Pd-catalyzed enantioselective access to hydrocarbazolones containing contiguous quaternary and tertiary stereocenters
• Authors of publication: Sun, Hao; Yu, Cheng-Long; Zheng, Yu-Qing; Shu, Peng-Fei; Dong, Zhan; Xia, Yu-Chen; Liu, Wen-Bo
• Journal of publication: Chemical Science
• Year of publication: 2025
• Journal volume: 16
• Journal issue: 15
• Pages of publication: 6425 - 6433
• a: 8.046 ± 0.0001 Å
• b: 18.2634 ± 0.0002 Å
• c: 8.5597 ± 0.0001 Å
• α: 90°
• β: 108.345 ± 0.001°
• γ: 90°
• Cell volume: 1193.9 ± 0.03 ų
• Cell temperature: 249.97 ± 0.1 K
• Ambient diffraction temperature: 249.97 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0276
• Residual factor for significantly intense reflections: 0.0269
• Weighted residual factors for significantly intense reflections: 0.0732
• Weighted residual factors for all reflections included in the refinement: 0.0738
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No