Information card for entry 7003007

Structure parameters

• Formula: C21 H21 Cu N3 O9
• Calculated formula: C21 H17 Cu N3 O9
• Title of publication: Cytotoxicity of the traditional chinese medicine (TCM) plumbagin in its copper chemistry
• Authors of publication: Chen, Zhen-Feng; Tan, Ming-Xiong; Liu, Li-Min; Liu, Yan-Cheng; Wang, Heng-Shan; Yang, Bin; Peng, Yan; Liu, Hua-Gang; Liang, Hong; Orvig, Chris
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 48
• Pages of publication: 10824 - 10833
• a: 8.684 ± 0.008 Å
• b: 10.357 ± 0.009 Å
• c: 13.036 ± 0.011 Å
• α: 72.472 ± 0.013°
• β: 83.105 ± 0.013°
• γ: 88.979 ± 0.013°
• Cell volume: 1109.7 ± 1.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 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: 0.0851
• Residual factor for significantly intense reflections: 0.067
• Weighted residual factors for significantly intense reflections: 0.1844
• Weighted residual factors for all reflections included in the refinement: 0.196
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No