Information card for entry 2000849

Structure parameters

• Formula: C10 H12 O4
• Calculated formula: C10 H12 O4
• SMILES: COc1cc(C)c(c(c1)O)C(=O)OC
• Title of publication: Structure of the methyl ester of everninic acid (methyl 2-hydroxy-4-methoxy-6-methylbenzoate)
• Authors of publication: Blaser, D.; Stoeckli-Evans, H.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1992
• Journal volume: 48
• Journal issue: 6
• Pages of publication: 1124 - 1125
• a: 11.418 ± 0.002 Å
• b: 7.989 ± 0.001 Å
• c: 11.231 ± 0.002 Å
• α: 90°
• β: 106.36 ± 0.01°
• γ: 90°
• Cell volume: 983 ± 0.3 ų
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mo
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No