Crystallography Open Database

Information card for entry 7246880

Preview

Coordinates	7246880.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H14 N2 O2
Calculated formula	C12 H14 N2 O2
Title of publication	Exploring the supramolecular profile of 5-phenylhydantoins
Authors of publication	Lazić, Anita; Radovanović, Lidija; Rogan, Jelena; Valentić, Nataša; Janjić, Goran; Đorđević, Ivana; Trišović, Nemanja
Journal of publication	CrystEngComm
Year of publication	2023
Journal volume	25
Journal issue	25
Pages of publication	3637 - 3654
a	7.5657 ± 0.0015 Å
b	11.619 ± 0.002 Å
c	25.402 ± 0.005 Å
α	90°
β	90°
γ	90°
Cell volume	2233 ± 0.7 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0431
Residual factor for significantly intense reflections	0.0404
Weighted residual factors for significantly intense reflections	0.1049
Weighted residual factors for all reflections included in the refinement	0.1072
Goodness-of-fit parameter for all reflections included in the refinement	1.084
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
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/7246880.html