Crystallography Open Database

Information card for entry 4503174

Preview

Coordinates	4503174.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H42 O2
Calculated formula	C20 H42 O2
SMILES	C(O)CCCCCCCCCCCCCCCCCCCO
Title of publication	Polymorphism of Long-Chain Alkane-α,ω-Diols with an Even Number of Carbon Atoms
Authors of publication	Uno, Kenjiro; Ogawa, Yoshihiro; Nakamura, Naotake
Journal of publication	Crystal Growth & Design
Year of publication	2008
Journal volume	8
Journal issue	2
Pages of publication	592
a	9.697 ± 0.003 Å
b	5.2313 ± 0.0016 Å
c	39.674 ± 0.003 Å
α	90°
β	91.747 ± 0.015°
γ	90°
Cell volume	2011.6 ± 0.9 Å³
Cell temperature	296 ± 2 K
Number of distinct elements	3
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for significantly intense reflections	0.0687
Weighted residual factors for all reflections included in the refinement	0.2348
Goodness-of-fit parameter for all reflections included in the refinement	1.054
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179562 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/31.	4503174.cif
120110	2014-07-12	Adding DOIs to range 4/50 structures.	4503174.cif
41399	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 4503174, 4503175, 4503176, 4503177, 4503178, 4503179, 4503180, 4503181 via cif-deposit CGI script.	4503174.cif