Information card for entry 7248670

Structure parameters

• Formula: C12 H16 O6
• Calculated formula: C12 H16 O6
• Title of publication: Sustainable Aviation Fuel from Prehydrolysis Liquors
• Authors of publication: Lebedeva, Daria; Schick, William; Cracco, Daniel; Sangsuwan, Withsakorn; Castiella-Ona, Gonzalo; Silva, Dagoberto; Marson, Alessandro; Grape, Erik; Inge, Andrew Ken; Rossi, Liane Marcia; Subbotina, Elena; Manzardo, Alessandro; Samec, Joseph
• Journal of publication: Green Chemistry
• Year of publication: 2024
• a: 7.1937 ± 0.0002 Å
• b: 9.3874 ± 0.0003 Å
• c: 8.8093 ± 0.0003 Å
• α: 90°
• β: 98.709 ± 0.001°
• γ: 90°
• Cell volume: 588.03 ± 0.03 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.037
• Residual factor for significantly intense reflections: 0.0336
• Weighted residual factors for significantly intense reflections: 0.0828
• Weighted residual factors for all reflections included in the refinement: 0.0855
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No