Crystallography Open Database

Information card for entry 5910115

Preview

Coordinates	5910115.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	Ethanol
Formula	C2 H6 O
Calculated formula	C2 H6 O
Title of publication	Hydrogen bond studies. CXIII. The crystal structure of ethanol at 87 K
Authors of publication	P.-G. Jönsson
Journal of publication	Acta Crystallogr.,Sect.B:Struct.Crystallogr.Cryst.Chem.
Year of publication	1976
Journal volume	32
Pages of publication	232 - 235
a	5.377 ± 0.004 Å
b	6.882 ± 0.005 Å
c	8.255 ± 0.008 Å
α	90°
β	102.2 ± 0.1°
γ	90°
Cell volume	298.6 ± 0.4 Å³
Ambient diffraction temperature	87 K
Number of distinct elements	3
Space group number	7
Hermann-Mauguin space group symbol	P 1 c 1
Hall space group symbol	P -2yc
Residual factor for significantly intense reflections	0.028
Weighted residual factors for significantly intense reflections	0.028
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
177123 (current)	2016-03-02	cif/5/91/ Adding standard COD SVN header to CIF entries 591*.	5910115.cif
176451	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 5.	5910115.cif
120070	2014-07-11	cif/ (saulius@koala.ibt.lt) Adding DOIs for structures in ranges 5, 6 and 8.	5910115.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	5910115.cif
1093	2010-04-14	cif/5/ Updating bibliography and CIF formatting in two of the recently deposited entries.	5910115.cif
1092	2010-04-14	cif/5/ Fixing Acta Cryst. coeditor codes in two new entries.	5910115.cif
1090	2010-04-14	cif/5/ Adding new files uploaded by Girish Upreti, mostly historic inorganic structures from Wyckoff, R. W. G. books (keyed in manually?).	5910115.cif