Information card for entry 7112216

Structure parameters

• Formula: C17 H18 N2 O4
• Calculated formula: C17 H18 N2 O4
• SMILES: c1n(ccn1)[C@H]1C=C[C@H]2[C@@H](CO[C@@H](c3ccc(cc3)OC)O2)O1
• Title of publication: One-pot synthesis of beta-N-glycosyl imidazole analogues via a palladium-catalysed decarboxylative allylation
• Authors of publication: Shaohua Xiang; Jingxi He; Jimei Ma; Xue-Wei Liu
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 4222
• a: 7.1797 ± 0.0006 Å
• b: 9.6308 ± 0.001 Å
• c: 11.5304 ± 0.0012 Å
• α: 103.804 ± 0.003°
• β: 93.978 ± 0.003°
• γ: 95.999 ± 0.005°
• Cell volume: 766.34 ± 0.13 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 4
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0552
• Residual factor for significantly intense reflections: 0.0434
• Weighted residual factors for significantly intense reflections: 0.1017
• Weighted residual factors for all reflections included in the refinement: 0.1221
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No