Information card for entry 1515731

Structure parameters

• Formula: C23 H22 O
• Calculated formula: C23 H22 O
• SMILES: C(c1ccccc1)(c1ccccc1)(c1ccccc1)C(=O)CCC
• 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: 16.115 ± 0.003 Å
• b: 14.052 ± 0.003 Å
• c: 7.509 ± 0.001 Å
• α: 90°
• β: 92.18 ± 0.01°
• γ: 90°
• Cell volume: 1699.2 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.1014
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.0554
• Weighted residual factors for all reflections included in the refinement: 0.063
• Goodness-of-fit parameter for all reflections included in the refinement: 0.781
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No