Information card for entry 7156994

Structure parameters

• Formula: C15 H12 Cl3 N3
• Calculated formula: C15 H12 Cl3 N3
• Title of publication: Transition metal-free α-methylation of 1,8-naphthyridine derivatives using DMSO as methylation reagent.
• Authors of publication: Jiang, Shaohua; Yang, Zhihai; Guo, Ziyin; Li, Yibiao; Chen, Lu; Zhu, Zhongzhi; Chen, Xiuwen
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2019
• Journal volume: 17
• Journal issue: 31
• Pages of publication: 7416 - 7424
• a: 10.485 ± 0.004 Å
• b: 6.832 ± 0.003 Å
• c: 21.082 ± 0.008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1510.2 ± 1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 4
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0787
• Residual factor for significantly intense reflections: 0.0653
• Weighted residual factors for significantly intense reflections: 0.1794
• Weighted residual factors for all reflections included in the refinement: 0.1961
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No