Information card for entry 7000255

Structure parameters

• Formula: C19 H11 Cl6 N O3
• Calculated formula: C19 H11 Cl6 N O3
• Title of publication: Potential new inorganic antitumour agents from combining the anticancer traditional Chinese medicine (TCM) liriodenine with metal ions, and DNA binding studies
• Authors of publication: Chen, Zhen-Feng; Liu, Yan-Cheng; Liu, Li-Min; Wang, Heng-Shan; Qin, San-Hai; Wang, Bo-Long; Bian, He-Dong; Yang, Bin; Fun, Hoong-Kun; Liu, Hua-Gang; Liang, Hong; Orvig, Chris
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 2
• Pages of publication: 262 - 272
• a: 26.529 ± 0.005 Å
• b: 12.4079 ± 0.0018 Å
• c: 13.862 ± 0.002 Å
• α: 90°
• β: 114.135 ± 0.004°
• γ: 90°
• Cell volume: 4164.1 ± 1.2 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 5
• 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: 0.0987
• Residual factor for significantly intense reflections: 0.0843
• Weighted residual factors for significantly intense reflections: 0.2064
• Weighted residual factors for all reflections included in the refinement: 0.2167
• Goodness-of-fit parameter for all reflections included in the refinement: 1.145
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No