Information card for entry 1515730

Structure parameters

• Formula: C27 H22 O
• Calculated formula: C27 H22 O
• SMILES: O=C(C(c1ccccc1)(c1ccccc1)c1ccccc1)Cc1ccccc1
• 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: 9.4338 ± 0.0012 Å
• b: 9.8839 ± 0.0013 Å
• c: 10.8606 ± 0.0014 Å
• α: 84.048 ± 0.001°
• β: 85.702 ± 0.001°
• γ: 77.071 ± 0.001°
• Cell volume: 980.3 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.049
• Residual factor for significantly intense reflections: 0.0399
• Weighted residual factors for significantly intense reflections: 0.1003
• Weighted residual factors for all reflections included in the refinement: 0.1069
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No