Crystallography Open Database

Information card for entry 2108150

Preview

Coordinates	2108150.cif
Original IUCr paper	HTML

Structure parameters

Formula	C9 H12 K N2 O9 P
Calculated formula	C9 H12 K N2 O9 P
SMILES	[K+].[O-]P(=O)(OC[C@H]1O[C@@H](N2C(=O)NC(=O)C=C2)[C@H](O)[C@@H]1O)O
Title of publication	Multi-temperature study of potassium uridine-5'-monophosphate: electron density distribution and anharmonic motion modelling
Authors of publication	Jarzembska, Katarzyna N.; Ślepokura, Katarzyna; Kamiński, Radosław; Gutmann, Matthias J.; Dominiak, Paulina M.; Woźniak, Krzysztof
Journal of publication	Acta Crystallographica Section B
Year of publication	2017
Journal volume	73
Journal issue	4
Pages of publication	550 - 564
a	8.063 ± 0.0003 Å
b	10.4358 ± 0.0005 Å
c	16.0092 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	1347.08 ± 0.1 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	6
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	0.0124
Residual factor for significantly intense reflections	0.011
Weighted residual factors for significantly intense reflections	0.0141
Weighted residual factors for all reflections included in the refinement	0.0141
Goodness-of-fit parameter for all reflections included in the refinement	0.844
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
199407 (current)	2017-07-29	cif/ hkl/ Adding structures of 2108150, 2108151, 2108152, 2108153, 2108154 via cif-deposit CGI script.	2108150.cif