Information card for entry 4518586

Structure parameters

• Formula: C48 H76.36 N8 O12 Zn2
• Calculated formula: C48 H75.0787 N8 O12 Zn2
• Title of publication: Discovery of a Dimeric Zinc Complex and Five Cyclopentenone Derivatives from the Sponge-Associated Fungus Aspergillus ochraceopetaliformis
• Authors of publication: Guo, Cui; Wang, Pei; Pang, Xiaoyan; Lin, Xiuping; Liao, Shengrong; Yang, Bin; Zhou, Xuefeng; Wang, Junfeng; Liu, Yonghong
• Journal of publication: ACS Omega
• Year of publication: 2021
• a: 11.8599 ± 0.0001 Å
• b: 24.2844 ± 0.0003 Å
• c: 29.9249 ± 0.0003 Å
• α: 90°
• β: 89.639 ± 0.001°
• γ: 90°
• Cell volume: 8618.52 ± 0.16 ų
• Cell temperature: 99.9 ± 0.3 K
• Ambient diffraction temperature: 99.9 ± 0.3 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.083
• Residual factor for significantly intense reflections: 0.0777
• Weighted residual factors for significantly intense reflections: 0.2125
• Weighted residual factors for all reflections included in the refinement: 0.2168
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No