Crystallography Open Database

Information card for entry 4503175

Preview

Coordinates	4503175.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H46 O2
Calculated formula	C22 H46 O2
SMILES	C(O)CCCCCCCCCCCCCCCCCCCCCO
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	9.691 ± 0.004 Å
b	5.235 ± 0.003 Å
c	43.416 ± 0.006 Å
α	90°
β	95.21 ± 0.02°
γ	90°
Cell volume	2193.5 ± 1.6 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	0.0501
Weighted residual factors for all reflections included in the refinement	0.1744
Goodness-of-fit parameter for all reflections included in the refinement	0.907
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.	4503175.cif
120110	2014-07-12	Adding DOIs to range 4/50 structures.	4503175.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.	4503175.cif