Information card for entry 2000850

Structure parameters

• Formula: C11 H14 O4
• Calculated formula: C11 H14 O4
• SMILES: COC(=O)c1c(C)cc(c(c1OC)C)O
• Title of publication: Structure of 2-methoxy methyl β-orcinol carboxylate (methyl 4-hydroxy-2-methoxy-3,6-dimethylbenzoate)
• Authors of publication: Blaser, D.; Gunzinger, J.; Stoeckli-Evans, H.; Tabacchi, R.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1992
• Journal volume: 48
• Journal issue: 6
• Pages of publication: 1126 - 1127
• a: 7.931 ± 0.001 Å
• b: 7.95 ± 0.001 Å
• c: 8.929 ± 0.001 Å
• α: 90°
• β: 102.81 ± 0.01°
• γ: 90°
• Cell volume: 548.97 ± 0.12 ų
• Number of distinct elements: 3
• Hermann-Mauguin space group symbol: P 1 21 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mo
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No