Information card for entry 7240595

Structure parameters

• Chemical name: Xanthocillin X
• Formula: C11 H12 N O2 S
• Calculated formula: C11 H12 N O2 S
• Title of publication: Identification and bioactivity evaluation of secondary metabolites from Antarctic-derived Penicillium chrysogenum CCTCC M 2020019
• Authors of publication: Khan, Imran; Zhang, Haibo; Liu, Wei; Zhang, Liping; Peng, Fang; Chen, Yuchan; Zhang, Qingbo; Zhang, Guangtao; Zhang, Weimin; Zhang, Changsheng
• Journal of publication: RSC Advances
• Year of publication: 2020
• Journal volume: 10
• Journal issue: 35
• Pages of publication: 20738 - 20744
• a: 6.4707 ± 0.0003 Å
• b: 6.4978 ± 0.0002 Å
• c: 13.6439 ± 0.0005 Å
• α: 96.434 ± 0.003°
• β: 102.426 ± 0.004°
• γ: 94.819 ± 0.003°
• Cell volume: 553.23 ± 0.04 ų
• Cell temperature: 100 ± 0.5 K
• Ambient diffraction temperature: 100 ± 0.5 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: 0.0465
• Residual factor for significantly intense reflections: 0.0457
• Weighted residual factors for significantly intense reflections: 0.1357
• Weighted residual factors for all reflections included in the refinement: 0.1367
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No