Crystallography Open Database

Information card for entry 1512616

Preview

Coordinates	1512616.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H29 N O
Calculated formula	C30 H29 N O
SMILES	Oc1c(cc(cc1/C=N/c1c(cc(cc1C)C)C)C)C(c1ccccc1)c1ccccc1
Title of publication	Synthesis, structure and photophysical properties of 2-benzhydryl-4-methyl-6-(aryliminomethyl)phenol ligands and the zinc complexes thereof
Authors of publication	Zihong Zhou; Wen Li; Xiaohua Hou; Xiang Hao; Langqiu Chen; Carl Redshaw; Wen-Hua Sun
Journal of publication	Inorganica Chimica Acta
Year of publication	2012
Journal volume	392
Pages of publication	292 - 299
a	8.6521 ± 0.0017 Å
b	26.552 ± 0.005 Å
c	10.833 ± 0.002 Å
α	90°
β	111.14 ± 0.03°
γ	90°
Cell volume	2321.2 ± 0.9 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 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 significantly intense reflections	0.1152
Weighted residual factors for significantly intense reflections	0.2625
Goodness-of-fit parameter for all reflections included in the refinement	1.238
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
176729 (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 1.	1512616.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1512616.cif
89865	2013-11-14	cif/ Adding structures of 1512616 via cif-deposit CGI script.	1512616.cif