Information card for entry 7117643

Structure parameters

• Chemical name: 1,4-bis(dihydroperoxymethyl)benzene
• Formula: C4 H5 O4
• Calculated formula: C4 H5 O4
• Title of publication: Less sensitive oxygen-rich organic peroxides containing geminal hydroperoxy groups
• Authors of publication: Nipuni-Dhanesh; H. Gamage; Benedikt Stiasny; Jorg Stierstorfer; Philip D. Martin; Thomas M. Klapotke; Charles H. Winter
• Journal of publication: Chem.Commun.
• Year of publication: 2015
• Journal volume: 51
• Pages of publication: 13298
• a: 9.776 ± 0.003 Å
• b: 6.0458 ± 0.0016 Å
• c: 8.133 ± 0.002 Å
• α: 90°
• β: 100.964 ± 0.011°
• γ: 90°
• Cell volume: 471.9 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0363
• Residual factor for significantly intense reflections: 0.0328
• Weighted residual factors for significantly intense reflections: 0.1334
• Weighted residual factors for all reflections included in the refinement: 0.1355
• Goodness-of-fit parameter for all reflections included in the refinement: 2.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No