Information card for entry 2207085

Structure parameters

• Chemical name: (RS)-2,6-Dimethoxy-4-(2-methoxypropyl)phenol
• Formula: C12 H18 O4
• Calculated formula: C12 H18 O4
• SMILES: COc1c(c(cc(c1)CC(C)OC)OC)O
• Title of publication: (<i>RS</i>)-2,6-Dimethoxy-4-(2-methoxypropyl)phenol
• Authors of publication: Meng, Xiang-Gao; Wu, An-Xin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 10
• Pages of publication: o3176 - o3178
• a: 13.74 ± 0.003 Å
• b: 9.405 ± 0.002 Å
• c: 9.997 ± 0.002 Å
• α: 90°
• β: 102.19 ± 0.004°
• γ: 90°
• Cell volume: 1262.7 ± 0.5 ų
• Cell temperature: 292 ± 2 K
• Ambient diffraction temperature: 292 ± 2 K
• Number of distinct elements: 3
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 c 1
• Hall space group symbol: P -2yc
• Residual factor for all reflections: 0.072
• Residual factor for significantly intense reflections: 0.0571
• Weighted residual factors for significantly intense reflections: 0.15
• Weighted residual factors for all reflections included in the refinement: 0.1641
• Goodness-of-fit parameter for all reflections included in the refinement: 0.967
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes