Information card for entry 1515733

Structure parameters

• Formula: C23 H22 O
• Calculated formula: C23 H22 O
• SMILES: C(=O)(C(c1ccccc1)(c1ccccc1)c1ccccc1)C(C)C
• Title of publication: Stable radicals during photodecarbonylations of trityl-alkyl ketones enable solid state reactions through primary and secondary radical centers.
• Authors of publication: Kuzmanich, Gregory; Natarajan, Arunkumar; Shi, Yanhui; Patrick, Brian O.; Scheffer, John R.; Garcia-Garibay, Miguel A
• Journal of publication: Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology
• Year of publication: 2011
• Journal volume: 10
• Journal issue: 11
• Pages of publication: 1731 - 1734
• a: 17.1668 ± 0.0014 Å
• b: 25.851 ± 0.002 Å
• c: 16.076 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7134.2 ± 1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 3
• Space group number: 41
• Hermann-Mauguin space group symbol: A b a 2
• Hall space group symbol: A 2 -2ab
• Residual factor for all reflections: 0.0747
• Residual factor for significantly intense reflections: 0.0386
• Weighted residual factors for significantly intense reflections: 0.0536
• Weighted residual factors for all reflections included in the refinement: 0.059
• Goodness-of-fit parameter for all reflections included in the refinement: 0.825
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No