Information card for entry 7225034

Structure parameters

• Formula: C35 H96 N8 O27 V8
• Calculated formula: C35 H96 N8 O27 V8
• SMILES: [V]123(=O)([O]([V]456([O]17[V]189(=O)[O]([V]%10%11(=O)([O]61[V]16([O]8%12[V]7(=O)([O]([V]%127(=O)(O8)[NH2][C@@H]9[C@@H]([NH2]7)CCCC8)C)([O]41[V]1(=O)([O]6C)(O5)[NH2][C@@H]4[C@@H]([NH2]1)CCCC4)O2)(=O)O%10)[NH2][C@@H]1CCCC[C@H]1[NH2]%11)C)=O)C)[NH2][C@H]1[C@H]([NH2]3)CCCC1.OC.OC.OC.OC.OC.OC.OC
• Title of publication: Asymmetric Catalytic Sulfoxidation by a Novel VIV8 Cluster Catalyst in the Presence of Serum Albumin: A Simple and Green Oxidation System
• Authors of publication: Tang, Jie; Yao, Peng-Fei; Xu, Xiao-Ling; Li, Hai-Ye; Huang, Fu-Ping; Nie, Qing-Qing; Luo, Mei-Yi; Yu, Qing; Bian, He-Dong
• Journal of publication: RSC Adv.
• Year of publication: 2016
• a: 14.1442 ± 0.0011 Å
• b: 14.91 ± 0.0011 Å
• c: 16.0774 ± 0.0013 Å
• α: 117.151 ± 0.008°
• β: 92.303 ± 0.006°
• γ: 91.772 ± 0.006°
• Cell volume: 3009.9 ± 0.5 ų
• Cell temperature: 140 ± 0.1 K
• Ambient diffraction temperature: 140 ± 0.1 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: 0.0753
• Residual factor for significantly intense reflections: 0.0604
• Weighted residual factors for significantly intense reflections: 0.1446
• Weighted residual factors for all reflections included in the refinement: 0.1568
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No