Information card for entry 7240041

Structure parameters

• Chemical name: Asperdione A
• Formula: C14 H19 N4 O2.5
• Calculated formula: C14 H19 N4 O2.5
• Title of publication: Cytotoxic alkaloids from the marine shellfish-associated fungus Aspergillus sp. XBB-4 induced by an amino acid-directed strategy
• Authors of publication: Qiu, Yi; Guo, Qi; Ran, Yan-Qin; Lan, Wen-Jian; Lam, Chi-Keung; Feng, Gong-Kan; Deng, Rong; Zhu, Xiao-Feng; Li, Hou-Jin; Chen, Liu-Ping
• Journal of publication: RSC Advances
• Year of publication: 2020
• Journal volume: 10
• Journal issue: 8
• Pages of publication: 4243 - 4250
• a: 27.726 ± 0.002 Å
• b: 14.7975 ± 0.0012 Å
• c: 7.8558 ± 0.0011 Å
• α: 90°
• β: 90.294 ± 0.011°
• γ: 90°
• Cell volume: 3223 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1384
• Residual factor for significantly intense reflections: 0.1196
• Weighted residual factors for significantly intense reflections: 0.3293
• Weighted residual factors for all reflections included in the refinement: 0.3607
• Goodness-of-fit parameter for all reflections included in the refinement: 1.246
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No