Crystallography Open Database

Information card for entry 1551806

Preview

Coordinates	1551806.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C9 H13 N5 O4
Calculated formula	C9 H13 N5 O4
SMILES	O=c1[nH]c(nc2n(cnc12)COC(CO)CO)N
Title of publication	Crystal Structure of Ganciclovir
Authors of publication	KAWAMURA, Tomoko; HIRAYAMA, Noriaki
Journal of publication	X-ray Structure Analysis Online
Year of publication	2009
Journal volume	25
Pages of publication	51
a	4.3803 ± 0.0015 Å
b	10.909 ± 0.004 Å
c	11.601 ± 0.004 Å
α	90°
β	99.11 ± 0.03°
γ	90°
Cell volume	547.4 ± 0.3 Å³
Cell temperature	293.1 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 significantly intense reflections	0.0583
Weighted residual factors for all reflections included in the refinement	0.0561
Goodness-of-fit parameter for all reflections included in the refinement	0.826
Diffraction radiation wavelength	1.54187 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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