Information card for entry 2013330

Structure parameters

• Chemical name: 9,10-Diphenylanthracene endoperoxide (I)
• Formula: C26 H18 O2
• Calculated formula: C26 H18 O2
• SMILES: O1OC2(c3c(cccc3)C1(c1c2cccc1)c1ccccc1)c1ccccc1
• Title of publication: 9,10-Diphenyl-9,10-epidioxyanthracene and 9,10-dihydro-10,10-dimethoxy-9-phenylanthracen-9-ol
• Authors of publication: Anwar Usman; Hoong-Kun Fun; Yun Li; Jian-Hua Xu
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 6
• Pages of publication: o308 - o310
• a: 19.839 ± 0.0012 Å
• b: 10.495 ± 0.0006 Å
• c: 18.013 ± 0.001 Å
• α: 90°
• β: 95.016 ± 0.001°
• γ: 90°
• Cell volume: 3736.1 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1519
• Residual factor for significantly intense reflections: 0.091
• Weighted residual factors for significantly intense reflections: 0.1912
• Weighted residual factors for all reflections included in the refinement: 0.2183
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes