Information card for entry 7111673

Structure parameters

• Formula: C12 H14 O10
• Calculated formula: C12 H14 O10
• Title of publication: Selective transformation pathways between crystalline forms of an organic material established from powder X-ray diffraction analysis
• Authors of publication: Fujii, Kotaro; Ashida, Yasunari; Uekusa, Hidehiro; Guo, Fang; Harris, Kenneth D. M.
• Journal of publication: Chemical Communications
• Year of publication: 2010
• Journal volume: 46
• Journal issue: 24
• Pages of publication: 4264 - 4266
• a: 3.886 ± 0.0003 Å
• b: 11.024 ± 0.0009 Å
• c: 15.914 ± 0.0013 Å
• α: 89.827 ± 0.002°
• β: 88.318 ± 0.002°
• γ: 89.997 ± 0.002°
• Cell volume: 681.45 ± 0.09 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 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: 0.0479
• Residual factor for significantly intense reflections: 0.0453
• Weighted residual factors for significantly intense reflections: 0.1056
• Weighted residual factors for all reflections included in the refinement: 0.1069
• Goodness-of-fit parameter for all reflections included in the refinement: 1.185
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No