Information card for entry 7152793

Structure parameters

• Formula: C22 H20 Cl3 N O3
• Calculated formula: C22 H20 Cl3 N O3
• SMILES: ClC(Cl)Cl.N1[C@H]2OC[C@H](OC(=O)C)[C@H](C2)c2ccc3c(c12)cc1c(c3)cccc1
• Title of publication: Unexpected N-glycosidation reaction of glycals with 1-amino-anthracene: structure revision and application to the synthesis of new analogues of marmycin A.
• Authors of publication: Zhang, Xuefeng; Jiang, Xiaolong; Ding, Chunyong; Yao, Qizheng; Zhang, Ao
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2013
• Journal volume: 11
• Journal issue: 8
• Pages of publication: 1383 - 1389
• a: 8.5901 ± 0.0008 Å
• b: 13.7587 ± 0.0013 Å
• c: 9.4392 ± 0.0009 Å
• α: 90°
• β: 112.242 ± 0.002°
• γ: 90°
• Cell volume: 1032.6 ± 0.17 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0322
• Residual factor for significantly intense reflections: 0.0315
• Weighted residual factors for significantly intense reflections: 0.0814
• Weighted residual factors for all reflections included in the refinement: 0.082
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No