Crystallography Open Database

Information card for entry 1515733

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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 Å³
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 F_obs	No

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