Crystallography Open Database

Information card for entry 2012581

2012580 << 2012581 >> 2012582

Preview

Structure parameters

Common name	4,5'-cyclowyosine.H~2~O
Chemical name	4,5'-cyclo-3-β-D-ribofuranosyl- 4,9-dihydro-6-methyl-9-oxoimidazo[1,2-a]purine hydrate
Formula	C13 H15 N5 O5
Calculated formula	C13 H15 N5 O5
SMILES	[C@H]12[C@H](O)[C@H](O)[C@H](O1)CN1c3n2cnc3C(=O)n2c1nc(C)c2.O
Title of publication	3,4-Dihydro-6-methyl-3-β-<small>D</small>-ribofuranosyl-4,5'-cyclo-9<i>H</i>-imidazo[1,2-<i>a</i>]purin-9-one hydrate
Authors of publication	Leban, Ivan; Golankiewicz, Boženna; Zeidler, Joanna; Giester, Gerald; Kobe, Jože
Journal of publication	Acta Crystallographica Section C
Year of publication	2002
Journal volume	58
Journal issue	3
Pages of publication	o133 - o135
a	4.9211 ± 0.0001 Å
b	13.3792 ± 0.0002 Å
c	20.5881 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	1355.53 ± 0.04 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	4
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0383
Residual factor for significantly intense reflections	0.0343
Weighted residual factors for significantly intense reflections	0.078
Weighted residual factors for all reflections included in the refinement	0.0799
Goodness-of-fit parameter for all reflections included in the refinement	1.039
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

Version history is temporarily not available due to server issues.