Information card for entry 2214732

Structure parameters

• Chemical name: 3,4,5-Trimethoxybenzoic acid
• Formula: C10 H12 O5
• Calculated formula: C10 H12 O5
• SMILES: C(=O)(c1cc(c(c(c1)OC)OC)OC)O
• Title of publication: 3,4,5-Trimethoxybenzoic acid
• Authors of publication: Ghulam Qadeer; Nasim Hasan Rama; Murat Tas̨; Okan Zafer Yes̨ilel; Wai-Yeung Wong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 8
• Pages of publication: o3456 - o3456
• a: 7.3384 ± 0.0003 Å
• b: 8.8325 ± 0.0003 Å
• c: 15.756 ± 0.0005 Å
• α: 90°
• β: 96.576 ± 0.002°
• γ: 90°
• Cell volume: 1014.53 ± 0.06 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0701
• Residual factor for significantly intense reflections: 0.0388
• Weighted residual factors for significantly intense reflections: 0.0878
• Weighted residual factors for all reflections included in the refinement: 0.0941
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes