Crystallography Open Database

Information card for entry 4518046

Preview

Coordinates	4518046.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C13 H17 Cl3 N2 O6
Calculated formula	C13 H17 Cl3 N2 O6
Title of publication	Intramolecular Michael Additions in Uridine Derivatives: Isolation of the Labile 5′O-C6 Cyclonucleoside
Authors of publication	Gissot, Arnaud; Massip, Stéphane; Barthélémy, Philippe
Journal of publication	ACS Omega
Year of publication	2020
Journal volume	5
Journal issue	38
Pages of publication	24746 - 24753
a	16.6577 ± 0.0003 Å
b	9.0916 ± 0.0002 Å
c	11.5007 ± 0.0002 Å
α	90°
β	102.302 ± 0.002°
γ	90°
Cell volume	1701.73 ± 0.06 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	5
Space group number	5
Hermann-Mauguin space group symbol	C 1 2 1
Hall space group symbol	C 2y
Residual factor for all reflections	0.0388
Residual factor for significantly intense reflections	0.0383
Weighted residual factors for significantly intense reflections	0.0992
Weighted residual factors for all reflections included in the refinement	0.0997
Goodness-of-fit parameter for all reflections included in the refinement	1.014
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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