Crystallography Open Database

Information card for entry 8103130

Preview

Coordinates	8103130.cif

Structure parameters

Chemical name	bis(1-benzoylacetone)-<i>p</i>-naphthalenedi-imine, C~30~H~26~N~2~O~2~
Formula	C30 H26 N2 O2
Calculated formula	C30 H26 N2 O2
Title of publication	Crystal structure of bis(1-benzoylacetone)-p-naphthalenediimine, C30H26N2O2
Authors of publication	De-Qiang Qi; Yi-Ping Zhang; Xue-Jie Wang; 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	101
a	7.462 ± 0.002 Å
b	16.556 ± 0.006 Å
c	9.607 ± 0.003 Å
α	90°
β	104.205 ± 0.004°
γ	90°
Cell volume	1150.6 ± 0.6 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	0.0641
Residual factor for significantly intense reflections	0.0434
Weighted residual factors for significantly intense reflections	0.0949
Weighted residual factors for all reflections included in the refinement	0.1034
Goodness-of-fit parameter for all reflections included in the refinement	0.974
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
176728 (current)	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.	8103130.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	8103130.cif
29089	2011-11-02	../uploads/cif-deposit/cod/cif Adding structures of 8103130 via cif-deposit CGI script.	8103130.cif