Information card for entry 7152839

Structure parameters

• Formula: C15 H15 N O4
• Calculated formula: C15 H15 N O4
• SMILES: O1C(=O)N([C@H]2[C@@]31[C@H](OCC3)CC(=O)C2)c1ccccc1.O1C(=O)N([C@@H]2[C@]31[C@@H](OCC3)CC(=O)C2)c1ccccc1
• Title of publication: An expedient stereoselective and chemoselective synthesis of bicyclic oxazolidinones from quinols and isocyanates.
• Authors of publication: Zhang, Jinzhu; Wu, Jing; Yin, Zhiwei; Zeng, Haisu; Khanna, Kunal; Hu, Chunhua; Zheng, Shengping
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2013
• Journal volume: 11
• Journal issue: 18
• Pages of publication: 2939 - 2942
• a: 6.1123 ± 0.0004 Å
• b: 17.974 ± 0.0012 Å
• c: 11.7487 ± 0.0008 Å
• α: 90°
• β: 96.038 ± 0.001°
• γ: 90°
• Cell volume: 1283.58 ± 0.15 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0483
• Residual factor for significantly intense reflections: 0.0424
• Weighted residual factors for significantly intense reflections: 0.1124
• Weighted residual factors for all reflections included in the refinement: 0.1176
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No