Information card for entry 2218023

Structure parameters

• Chemical name: 9,10-Dimethyl-9,10-peroxy-9,10-dihydroanthracene
• Formula: C16 H14 O2
• Calculated formula: C16 H14 O2
• SMILES: CC12OOC(c3c1cccc3)(c1c2cccc1)C
• Title of publication: 9,10-Dimethyl-9,10-peroxy-9,10-dihydroanthracene
• Authors of publication: Wang, Yun-Wu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 4
• Pages of publication: o660
• a: 12.9873 ± 0.0007 Å
• b: 11.081 ± 0.0008 Å
• c: 8.8368 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1271.72 ± 0.16 ų
• Cell temperature: 296 ± 1 K
• Number of distinct elements: 3
• Space group number: 36
• Hermann-Mauguin space group symbol: C m c 21
• Hall space group symbol: C 2c -2
• Residual factor for significantly intense reflections: 0.0421
• Weighted residual factors for all reflections included in the refinement: 0.1067
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes