Information card for entry 7238445

Structure parameters

• Formula: C35 H62 N8 O15
• Calculated formula: C35 H62 N8 O15
• Title of publication: Experimental and computational insights into the conformations of tunicyclin E, a new cycloheptapeptide from Psammosilene tunicoides
• Authors of publication: Tian, Jun-Mian; Ou-Yang, Si-Sheng; Zhang, Xu; Di, Ying-Tong; Jiang, Hua-Liang; Li, Hong-Lin; Dai, Wei-Xing; Chen, Ke-Yu; Liu, Mai-Li; Hao, Xiao-Jiang; Shen, Yun-Heng; Luo, Cheng; Zhang, Wei-Dong
• Journal of publication: RSC Adv.
• Year of publication: 2012
• Journal volume: 2
• Journal issue: 3
• Pages of publication: 1126
• a: 10.798 ± 0.017 Å
• b: 15.09 ± 0.02 Å
• c: 27.46 ± 0.04 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4474 ± 11 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1705
• Residual factor for significantly intense reflections: 0.081
• Weighted residual factors for significantly intense reflections: 0.1884
• Weighted residual factors for all reflections included in the refinement: 0.2354
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No