Crystallography Open Database

Information card for entry 1571264

Preview

Coordinates	1571264.cif
Original IUCr paper	HTML

Structure parameters

Common name	1-methyluracil
Formula	C5 H6 N2 O2
Calculated formula	C5 H6 N2 O2
Title of publication	Dynamical refinement with multipolar electron scattering factors.
Authors of publication	Olech, Barbara; Brázda, Petr; Palatinus, Lukas; Dominiak, Paulina Maria
Journal of publication	IUCrJ
Year of publication	2024
Journal volume	11
Journal issue	3
a	13.1931 Å
b	13.214 Å
c	6.213 Å
α	90°
β	90°
γ	90°
Cell volume	1083.14 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	4
Space group number	72
Hermann-Mauguin space group symbol	I b a m
Hall space group symbol	-I 2 2c
Residual factor for all reflections	0.1257
Residual factor for significantly intense reflections	0.0875
Weighted residual factors for significantly intense reflections	0.094
Weighted residual factors for all reflections included in the refinement	0.097
Goodness-of-fit parameter for significantly intense reflections	0
Goodness-of-fit parameter for all reflections included in the refinement	2.7109
Diffraction radiation probe	electron
Diffraction radiation wavelength	0.0251 Å
Diffraction radiation type	electron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/1571264.html