Information card for entry 4117026

Structure parameters

• Formula: C11 H13 N O
• Calculated formula: C11 H13 N O
• Title of publication: Designing Photosystems for Harvesting Photons into Electrons by Sequential Electron-Transfer Processes: Reversing the Reactivity Profiles of α,β-Unsaturated Ketones as Carbon Radical Precursor by One Electron Reductive β-Activation
• Authors of publication: Ganesh Pandey; Saumen Hajra; Manas K. Ghorai; K. Ravi Kumar
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 1997
• Journal volume: 119
• Pages of publication: 8777 - 8787
• a: 6.43 ± 0.001 Å
• b: 16.119 ± 0.002 Å
• c: 9.118 ± 0.001 Å
• α: 90°
• β: 93.53 ± 0.01°
• γ: 90°
• Cell volume: 943.2 ± 0.2 ų
• Cell temperature: 294 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 significantly intense reflections: 0.054
• Weighted residual factors for significantly intense reflections: 0.062
• Goodness-of-fit parameter for significantly intense reflections: 1.3
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No