Crystallography Open Database

Information card for entry 8103127

Preview

Coordinates	8103127.cif

Structure parameters

Formula	C20 H22 N2 O2
Calculated formula	C20 H22 N2 O2
Title of publication	Crystal structure of bis(acetylacetone)-p-naphthalenediimine, C20H22N2O2
Authors of publication	De-Qiang Qi; Piao-Piao Lin; Fen-Fen Ni; Tian-Hao Kong
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2011
Journal volume	226
Journal issue	1
Pages of publication	99
a	8.196 ± 0.002 Å
b	9.078 ± 0.002 Å
c	12.235 ± 0.003 Å
α	90°
β	109.57 ± 0.01°
γ	90°
Cell volume	857.7 ± 0.4 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0623
Residual factor for significantly intense reflections	0.0531
Weighted residual factors for significantly intense reflections	0.1382
Weighted residual factors for all reflections included in the refinement	0.1457
Goodness-of-fit parameter for all reflections included in the refinement	1.032
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.	8103127.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.	8103127.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	8103127.cif
29082	2011-11-02	../uploads/cif-deposit/cod/cif Adding structures of 8103127 via cif-deposit CGI script.	8103127.cif