Information card for entry 2009172

Structure parameters

• Chemical name: AP-9-(o-isopropylphenyl)-9-fluorenyl Peroxide
• Formula: C44 H38 O2
• Calculated formula: C44 H38 O2
• SMILES: CC(c1ccccc1C1(OOC2(c3ccccc3C(C)C)c3ccccc3c3c2cccc3)c2ccccc2c2c1cccc2)C
• Title of publication: <i>ap</i>-9-(<i>o</i>-Isopropylphenyl)-9-fluorenyl peroxide
• Authors of publication: Robinson, Paul D.; Hou, Yuqing; Meyers, Cal Y.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 11
• Pages of publication: IUC9900147
• a: 8.746 ± 0.005 Å
• b: 23.837 ± 0.005 Å
• c: 9.982 ± 0.005 Å
• α: 90°
• β: 125.43 ± 0.03°
• γ: 90°
• Cell volume: 1695.7 ± 1.5 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 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: 0.137
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for all reflections included in the refinement: 0.121
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No