Crystallography Open Database

Information card for entry 8107527

Preview

Coordinates	8107527.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H10 O4 Se2
Calculated formula	C14 H10 O4 Se2
SMILES	[Se]([Se]c1ccc(O)c(c1)C=O)c1ccc(O)c(c1)C=O
Title of publication	The crystal structure of 5,5′-diselanediyl-bis(2-hydroxybenzaldehyde), C14H10O4Se2
Authors of publication	Tingting, Lin; Qiuling, Peng; Meiyun, Lv; Mengping, Guo
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2023
Journal volume	238
Journal issue	4
Pages of publication	673 - 674
a	6.6836 ± 0.0011 Å
b	8.9933 ± 0.0011 Å
c	11.5062 ± 0.0019 Å
α	77.128 ± 0.012°
β	87.684 ± 0.014°
γ	89.975 ± 0.012°
Cell volume	673.65 ± 0.18 Å³
Cell temperature	293 ± 0.1 K
Ambient diffraction temperature	293 ± 0.1 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0721
Residual factor for significantly intense reflections	0.0564
Weighted residual factors for significantly intense reflections	0.1357
Weighted residual factors for all reflections included in the refinement	0.1512
Goodness-of-fit parameter for all reflections included in the refinement	1.083
Diffraction radiation probe	x-ray
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
286496 (current)	2023-09-25	cif/ Adding structures of 8107527 via cif-deposit CGI script.	8107527.cif