Information card for entry 4129251

Structure parameters

• Common name: ubql12
• Formula: C12 H13 N O5
• Calculated formula: C12 H13 N O5
• Title of publication: Design of spiro[2.3]hex-1-ene, a genetically encodable double-strained alkene for superfast photoclick chemistry.
• Authors of publication: Yu, Zhipeng; Lin, Qing
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2014
• Journal volume: 136
• Journal issue: 11
• Pages of publication: 4153 - 4156
• a: 18.5189 ± 0.0017 Å
• b: 6.1174 ± 0.0006 Å
• c: 21.937 ± 0.003 Å
• α: 90°
• β: 95.7725 ± 0.0014°
• γ: 90°
• Cell volume: 2472.6 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.079
• Residual factor for significantly intense reflections: 0.0445
• Weighted residual factors for significantly intense reflections: 0.102
• Weighted residual factors for all reflections included in the refinement: 0.1172
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No