Information card for entry 2012912

Structure parameters

• Chemical name: 1,4-Bis[(1-methyl-1-phenylethyl)peroxymethyl]benzene
• Formula: C26 H30 O4
• Calculated formula: C26 H30 O4
• SMILES: CC(c1ccccc1)(OOCc1ccc(cc1)COOC(c1ccccc1)(C)C)C
• Title of publication: 1,4-Bis[(1-methyl-1-phenylethyl)peroxymethyl]benzene
• Authors of publication: Kuźnik, Nikodem; Zawadiak, Jan; Gilner, Danuta; Wiȩckol, Angelika; Wagner, Paweł; Kubicki, Maciej
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 9
• Pages of publication: o549 - o550
• a: 15.368 ± 0.003 Å
• b: 6.22 ± 0.0012 Å
• c: 23.142 ± 0.005 Å
• α: 90°
• β: 90.44 ± 0.03°
• γ: 90°
• Cell volume: 2212.1 ± 0.8 ų
• Cell temperature: 295 K
• Ambient diffraction temperature: 295 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.098
• Residual factor for significantly intense reflections: 0.033
• Weighted residual factors for significantly intense reflections: 0.08
• Weighted residual factors for all reflections included in the refinement: 0.092
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes