Crystallography Open Database

Information card for entry 7101165

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Coordinates	7101165.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H18 Cl2 N2 O6
Calculated formula	C24 H18 Cl2 N2 O6
Title of publication	A new [2+2] photodimerization of 5-chloro- and 5-methyl-2-pyridone in their inclusion complexes with 1,1f-biphenyl-2,2f-dicarboxylic acid as a model for DNA damage by photodimerization of its thymine component
Authors of publication	Fumio Toda; Shinji Toyota
Journal of publication	Chemical Communications
Year of publication	2005
Journal issue	5
a	17.2292 ± 0.0002 Å
b	15.0443 ± 0.0002 Å
c	18.9657 ± 0.0002 Å
α	90°
β	114.425 ± 0.0003°
γ	90°
Cell volume	4475.98 ± 0.09 Å³
Cell temperature	113.2 K
Number of distinct elements	5
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/c 1
Hall space group symbol	-P 2yc
Residual factor for significantly intense reflections	0.0345
Weighted residual factors for all reflections included in the refinement	0.0917
Goodness-of-fit parameter for all reflections included in the refinement	1.073
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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