Information card for entry 7157750

Structure parameters

• Formula: C11 H13 Cl N4 O
• Calculated formula: C11 H13 Cl N4 O
• Title of publication: Novel aryltriazole acyclic C-azanucleosides as anticancer candidates.
• Authors of publication: Zhang, Yanhua; Lin, Yun; Hou, Qianqian; Liu, Xi; Pricl, Sabrina; Peng, Ling; Xia, Yi
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2020
• Journal volume: 18
• Journal issue: 47
• Pages of publication: 9689 - 9699
• a: 4.4944 ± 0.0006 Å
• b: 5.4263 ± 0.0007 Å
• c: 12.2978 ± 0.0016 Å
• α: 97.735 ± 0.011°
• β: 94.192 ± 0.011°
• γ: 92.2 ± 0.011°
• Cell volume: 296.04 ± 0.07 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0636
• Residual factor for significantly intense reflections: 0.0426
• Weighted residual factors for significantly intense reflections: 0.0975
• Weighted residual factors for all reflections included in the refinement: 0.1135
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No