Information card for entry 3500101

Structure parameters

• Common name: 1,2,3-trimethoxybenzene
• Chemical name: 1,2,3-trimethoxybenzene
• Formula: C9 H12 O3
• Calculated formula: C9 H12 O3
• Authors of publication: Thierry Maris
• Journal of publication: Personal communication to COD
• Year of publication: 2020
• a: 12.9744 ± 0.0012 Å
• b: 5.1182 ± 0.0005 Å
• c: 12.7942 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 849.61 ± 0.14 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 3
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0348
• Residual factor for significantly intense reflections: 0.0318
• Weighted residual factors for significantly intense reflections: 0.0745
• Weighted residual factors for all reflections included in the refinement: 0.0765
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes