Crystallography Open Database

Information card for entry 7206471

7206470 << 7206471 >> 7206472

Preview

Coordinates	7206471.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H34 Br N O
Calculated formula	C27 H34 Br N O
SMILES	Brc1ccc(c(c1)/C=N/C[C@@]1(CCC[C@]2([C@H]1CCc1c2ccc(c1)C(C)C)C)C)O
Title of publication	Discovery of a new type of organic ferroelectric materials in natural biomass dehydroabietylamine Schiff bases
Authors of publication	Sui, Yan; Liu, Dong-Sheng; Hu, Rong-Hua; Chen, Hong-Mei
Journal of publication	Journal of Materials Chemistry
Year of publication	2011
Journal volume	21
Journal issue	38
Pages of publication	14599
a	11.264 ± 0.004 Å
b	6.189 ± 0.002 Å
c	17.301 ± 0.006 Å
α	90°
β	102.785 ± 0.007°
γ	90°
Cell volume	1176.2 ± 0.7 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0875
Residual factor for significantly intense reflections	0.0526
Weighted residual factors for significantly intense reflections	0.1142
Weighted residual factors for all reflections included in the refinement	0.1191
Goodness-of-fit parameter for all reflections included in the refinement	1.019
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	7206471.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7206471.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7206471.cif
27993	2011-10-13	../uploads/cif-deposit/cod/cif Adding structures of 7206471, 7206472 via cif-deposit CGI script.	7206471.cif