Information card for entry 2219903

Structure parameters

• Common name: dicumyl peroxide
• Chemical name: Bis(1-methyl-1-phenylethyl) peroxide
• Formula: C18 H22 O2
• Calculated formula: C18 H22 O2
• SMILES: CC(c1ccccc1)(OOC(c1ccccc1)(C)C)C
• Title of publication: Bis(1-methyl-1-phenylethyl) peroxide
• Authors of publication: Su, Wei-Yi; Hou, Guang-Yang; Yin, Qiu-Xiang; Zhou, Li-Na
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 11
• Pages of publication: o2128
• a: 10.04 ± 0.002 Å
• b: 7.4774 ± 0.0015 Å
• c: 21.016 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1577.7 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.052
• Residual factor for significantly intense reflections: 0.0433
• Weighted residual factors for significantly intense reflections: 0.1048
• Weighted residual factors for all reflections included in the refinement: 0.1096
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes