Information card for entry 3500068

Structure parameters

• Common name: 1,2-Benzenedimethanol
• Formula: C8 H10 O2
• Calculated formula: C8 H10 O2
• Authors of publication: Thierry Maris
• Journal of publication: Personal communication to COD
• Year of publication: 2017
• a: 15.0049 ± 0.0006 Å
• b: 7.5241 ± 0.0003 Å
• c: 13.8287 ± 0.0009 Å
• α: 90°
• β: 117.323 ± 0.001°
• γ: 90°
• Cell volume: 1387.06 ± 0.12 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0355
• Residual factor for significantly intense reflections: 0.0344
• Weighted residual factors for significantly intense reflections: 0.0923
• Weighted residual factors for all reflections included in the refinement: 0.0935
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes