Information card for entry 2008435

Structure parameters

• Common name: 4,5-dihydro-1,2,4-oxadiazole
• Chemical name: Methyl (2S)-2-[(5R)-diphenyl-4,5-dihydro-1,2,4-oxadiazol-4-yl]-3-phenylpropanoate
• Formula: C24 H22 N2 O3
• Calculated formula: C24 H22 N2 O3
• SMILES: O1N=C(N([C@H]1c1ccccc1)[C@@H](Cc1ccccc1)C(=O)OC)c1ccccc1
• Title of publication: Methyl (2<i>S</i>)-2-[(5<i>R</i>)-3,5-diphenyl-4,5-dihydro-1,2,4-oxadiazol-4-yl]-3-phenylpropanoate
• Authors of publication: Xu, Jiaxi; Li, Xiaoyu; Wang, Zhemin; Yang, Qingchuan; Yan, Chunhua
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 4
• Pages of publication: 650 - 652
• a: 14.671 ± 0.004 Å
• b: 15.135 ± 0.002 Å
• c: 9.328 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2071.2 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0762
• Residual factor for significantly intense reflections: 0.0549
• Weighted residual factors for all reflections included in the refinement: 0.1228
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes