Crystallography Open Database

Information card for entry 8103198

Preview

Coordinates	8103198.cif

Structure parameters

Formula	C12 H14 N O2
Calculated formula	C12 H14 N O2
Title of publication	Crystal structure of 1,2-bis[2-(pent-3-en-4-yl-2-one)aminophenoxy]ethane, C24H28N2O4
Authors of publication	Cheng-Tao Sun
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2011
Journal volume	226
Journal issue	4
Pages of publication	503
a	14.239 ± 0.005 Å
b	5.148 ± 0.002 Å
c	15.068 ± 0.006 Å
α	90°
β	99.166 ± 0.013°
γ	90°
Cell volume	1090.4 ± 0.7 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0484
Residual factor for significantly intense reflections	0.0374
Weighted residual factors for significantly intense reflections	0.1044
Weighted residual factors for all reflections included in the refinement	0.1113
Goodness-of-fit parameter for all reflections included in the refinement	1.038
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
211175 (current)	2018-09-26	cif/ Removing _chemical_name_systematic and _chemical_name_common data items with placeholder values from 513 entries in range 8.	8103198.cif
176728	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 8.	8103198.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	8103198.cif
32540	2012-02-09	../uploads/cif-deposit/cod/cif Adding structures of 8103198 via cif-deposit CGI script.	8103198.cif