Information card for entry 2222923

Structure parameters

• Chemical name: <i>N</i>-{4-Bromo-2-[(<i>S</i>)-menthyloxy]-5-oxo-2,5-dihydro-3-furyl}-L-valine
• Formula: C19 H30 Br N O5
• Calculated formula: C19 H30 Br N O5
• SMILES: BrC1=C([C@H](OC1=O)O[C@H]1[C@H](C(C)C)CC[C@H](C1)C)N[C@H](C(=O)O)C(C)C
• Title of publication: <i>N</i>-{4-Bromo-2-[(<i>S</i>)-menthyloxy]-5-oxo-2,5-dihydro-3-furyl}-<small>L</small>-valine
• Authors of publication: Song, Xiu-Mei; Li, Zhao-Yang; Wang, Zhao-Yang; Fu, Jian-Hua
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 8
• Pages of publication: o1838
• a: 10.5409 ± 0.0009 Å
• b: 10.5409 ± 0.0009 Å
• c: 39.388 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4376.4 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 96
• Hermann-Mauguin space group symbol: P 43 21 2
• Hall space group symbol: P 4nw 2abw
• Residual factor for all reflections: 0.0736
• Residual factor for significantly intense reflections: 0.0403
• Weighted residual factors for significantly intense reflections: 0.0742
• Weighted residual factors for all reflections included in the refinement: 0.0853
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes