Information card for entry 1508385

Structure parameters

• Formula: C11 H14 O4
• Calculated formula: C11 H14 O4
• Title of publication: Ethyl 2,6-Dimethoxybenzoate: Synthesis, Spectroscopic and X-ray Crystallographic Analysis
• Authors of publication: Khan, Imtiaz; Ibrar, Aliya; White, Jonathan M.
• Journal of publication: Crystals
• Year of publication: 2012
• Journal volume: 2
• Journal issue: 2
• Pages of publication: 521 - 527
• a: 8.5518 ± 0.0003 Å
• b: 10.8826 ± 0.0008 Å
• c: 11.9939 ± 0.0006 Å
• α: 101.273 ± 0.005°
• β: 98.287 ± 0.003°
• γ: 94.092 ± 0.004°
• Cell volume: 1077.54 ± 0.11 ų
• Cell temperature: 130 ± 0.2 K
• Ambient diffraction temperature: 130 ± 0.2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0581
• Residual factor for significantly intense reflections: 0.0476
• Weighted residual factors for significantly intense reflections: 0.1181
• Weighted residual factors for all reflections included in the refinement: 0.1262
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No