Information card for entry 7152841

Structure parameters

• Formula: C16 H17 N O3
• Calculated formula: C16 H17 N O3
• SMILES: O=C1O[C@@]2([C@H](N1c1ccccc1)[C@H](C(=O)C(=C2)C)C)C.O=C1O[C@]2([C@@H](N1c1ccccc1)[C@@H](C(=O)C(=C2)C)C)C
• 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: 14.8275 ± 0.0013 Å
• b: 7.8956 ± 0.0007 Å
• c: 11.8515 ± 0.0011 Å
• α: 90°
• β: 94.993 ± 0.001°
• γ: 90°
• Cell volume: 1382.2 ± 0.2 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0409
• Residual factor for significantly intense reflections: 0.0354
• Weighted residual factors for significantly intense reflections: 0.0897
• Weighted residual factors for all reflections included in the refinement: 0.0945
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No