Information card for entry 2222305

Structure parameters

• Chemical name: <i>N</i>-[(2<i>S</i>)-4-Chloro-2-(L-menthyloxy)-5-oxo-2,5-dihydrofuran-3-yl]- L-valine
• Formula: C19 H30 Cl N O5
• Calculated formula: C19 H30 Cl N O5
• SMILES: C(=O)([C@H](C(C)C)NC1=C(C(=O)O[C@@H]1O[C@@H]1C[C@H](C)CC[C@H]1C(C)C)Cl)O
• Title of publication: <i>N</i>-[(2<i>S</i>)-4-Chloro-2-(<small>L</small>-menthyloxy)-5-oxo-2,5-dihydrofuran-3-yl]-<small>L</small>-valine
• Authors of publication: Song, Xiu-Mei; Li, Zhao-Yang; Wang, Zhao-Yang; Li, Jian-Xiao
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 7
• Pages of publication: o1585
• a: 10.454 ± 0.0004 Å
• b: 10.454 ± 0.0004 Å
• c: 39.3 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4294.9 ± 0.4 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: 0.06
• Residual factor for significantly intense reflections: 0.0399
• Weighted residual factors for significantly intense reflections: 0.0813
• Weighted residual factors for all reflections included in the refinement: 0.0905
• 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: Yes