Crystallography Open Database

Information card for entry 4022814

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Coordinates	4022814.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H38 N2 O7 Si
Calculated formula	C23 H38 N2 O7 Si
Title of publication	Independent Generation of C5'-Nucleosidyl Radicals in Thymidine and 2'-Deoxyguanosine
Authors of publication	Antonio Manetto; Dimitris Georganakis; Leondios Leondiadis; Thanasis Gimisis; Peter Mayer; Thomas Carell; Chryssostomos Chatgilialoglu
Journal of publication	Journal of Organic Chemistry
Year of publication	2007
Journal volume	72
Pages of publication	3659 - 3666
a	14.1327 ± 0.0004 Å
b	10.9042 ± 0.0003 Å
c	17.7449 ± 0.0006 Å
α	90°
β	93.3188 ± 0.0011°
γ	90°
Cell volume	2730.01 ± 0.14 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0839
Residual factor for significantly intense reflections	0.0621
Weighted residual factors for significantly intense reflections	0.1636
Weighted residual factors for all reflections included in the refinement	0.1774
Goodness-of-fit parameter for all reflections included in the refinement	1.06
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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