Information card for entry 7218319

Structure parameters

• Formula: C16 H36 N11 O15 Tb
• Calculated formula: C16 H38 N11 O15 Tb
• Title of publication: The first example of model compound of RNase U2 and its intermediate with CPP directly monitored by ESI-MS
• Authors of publication: Ma, Xiaoyan; Yin, Yuxin; Geng, Zhirong; Yang, Zhen; Wen, Jinghan; Wang, Zhilin
• Journal of publication: RSC Adv.
• Year of publication: 2014
• a: 10.2941 ± 0.0013 Å
• b: 10.4764 ± 0.0012 Å
• c: 16.0463 ± 0.0019 Å
• α: 92.08 ± 0.002°
• β: 99.208 ± 0.003°
• γ: 116.368 ± 0.002°
• Cell volume: 1519.2 ± 0.3 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0593
• Residual factor for significantly intense reflections: 0.0503
• Weighted residual factors for significantly intense reflections: 0.119
• Weighted residual factors for all reflections included in the refinement: 0.1241
• Goodness-of-fit parameter for all reflections included in the refinement: 1.225
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No