Crystallography Open Database

Information card for entry 7159722

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Coordinates	7159722.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C9 H15 N3 O7
Calculated formula	C9 H15 N3 O7
Title of publication	Two short approaches to the COVID-19 drug β-D-<i>N</i><sup>4</sup>-hydroxycytidine and its prodrug molnupiravir.
Authors of publication	Persaud, Kevin E.; Sahu, Rajesh R.; Neary, Michelle C.; Kapdi, Anant R.; Lakshman, Mahesh K.
Journal of publication	Organic & biomolecular chemistry
Year of publication	2024
Journal volume	22
Journal issue	4
Pages of publication	735 - 740
a	5.1341 ± 0.0001 Å
b	8.4181 ± 0.0002 Å
c	13.3376 ± 0.0003 Å
α	90°
β	93.235 ± 0.001°
γ	90°
Cell volume	575.52 ± 0.02 Å³
Cell temperature	130 ± 2 K
Ambient diffraction temperature	130 ± 2 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0288
Residual factor for significantly intense reflections	0.0281
Weighted residual factors for significantly intense reflections	0.0745
Weighted residual factors for all reflections included in the refinement	0.0747
Goodness-of-fit parameter for all reflections included in the refinement	1.051
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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