Crystallography Open Database

Information card for entry 2311653

Preview

Coordinates	2311653.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Di-n-propyl succinate
Formula	C10 H18 O4
Calculated formula	C10 H18 O4
SMILES	CCCOC(=O)CCC(=O)OCCC
Title of publication	Succinate esters: odd-even effects in melting points.
Authors of publication	Joseph, Sumy; Sathishkumar, Ranganathan
Journal of publication	Acta crystallographica Section B, Structural science, crystal engineering and materials
Year of publication	2014
Journal volume	70
Journal issue	Pt 5
Pages of publication	839 - 846
a	4.3722 ± 0.0017 Å
b	7.829 ± 0.003 Å
c	8.718 ± 0.004 Å
α	113.011 ± 0.006°
β	90.935 ± 0.006°
γ	97.047 ± 0.006°
Cell volume	271.92 ± 0.19 Å³
Cell temperature	90 K
Ambient diffraction temperature	90 K
Number of distinct elements	3
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.033
Residual factor for significantly intense reflections	0.0314
Weighted residual factors for significantly intense reflections	0.0804
Weighted residual factors for all reflections included in the refinement	0.0817
Goodness-of-fit parameter for all reflections included in the refinement	1.075
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
246070 (current)	2019-12-26	cif/ Adding structures of 2311651, 2311652, 2311653, 2311654, 2311655, 2311656 via cif-deposit CGI script.	2311653.cif