Information card for entry 7157569

Structure parameters

• Formula: C14 H12 N2
• Calculated formula: C14 H12 N2
• Title of publication: Photoisomerization-enhanced 1,3-dipolar cycloaddition of carbon-bridged octocyclic azobenzene with photo-released nitrile imine for peptide stapling and imaging in live cells.
• Authors of publication: Deng, Jiajie; Wu, Xueting; Guo, Guiling; Zhao, Xiaohu; Yu, Zhipeng
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2020
• Journal volume: 18
• Journal issue: 29
• Pages of publication: 5602 - 5607
• a: 12.3316 ± 0.0005 Å
• b: 12.7106 ± 0.0005 Å
• c: 14.1603 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2219.51 ± 0.16 ų
• Cell temperature: 139 K
• Ambient diffraction temperature: 139 K
• Number of distinct elements: 3
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0563
• Residual factor for significantly intense reflections: 0.0539
• Weighted residual factors for significantly intense reflections: 0.1424
• Weighted residual factors for all reflections included in the refinement: 0.1454
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No