Information card for entry 2223469

Structure parameters

• Chemical name: Menthyl 2-oxo-2<i>H</i>-chromene-3-carboxylate
• Formula: C20 H24 O4
• Calculated formula: C20 H24 O4
• SMILES: o1c2ccccc2cc(c1=O)C(=O)O[C@H]1[C@@H](CC[C@H](C1)C)C(C)C
• Title of publication: Menthyl 2-oxo-2<i>H</i>-chromene-3-carboxylate
• Authors of publication: Xu, Cui-Lian; Liu, Shan-Yu; Chen, Gang; Yang, Guo-Yu; Zhao, Ming-Qin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 10
• Pages of publication: o2431
• a: 11.08 ± 0.002 Å
• b: 12.408 ± 0.003 Å
• c: 13.532 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1860.4 ± 0.7 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 3
• 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: 0.072
• Residual factor for significantly intense reflections: 0.0565
• Weighted residual factors for significantly intense reflections: 0.1295
• Weighted residual factors for all reflections included in the refinement: 0.1376
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes