Crystallography Open Database

Information card for entry 7219120

7219119 << 7219120 >> 7219121

Preview

Coordinates	7219120.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	12-2Ar
Formula	C42 H80 Br2 N2 O3
Calculated formula	C42 H80 Br2 N2 O3
Title of publication	Effect of 1D twisted water chains confined in channels formed by a Gemini amphiphile on its crystal stability
Authors of publication	Sheng, Yujie; Yao, Junyao; Chen, Qibin; Liu, Honglai
Journal of publication	CrystEngComm
Year of publication	2015
Journal volume	17
Journal issue	6
Pages of publication	1439
a	54.695 ± 0.002 Å
b	9.8891 ± 0.0004 Å
c	16.877 ± 0.0006 Å
α	90°
β	92.628 ± 0.005°
γ	90°
Cell volume	9118.9 ± 0.6 Å³
Cell temperature	140 ± 2 K
Ambient diffraction temperature	140 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1484
Residual factor for significantly intense reflections	0.1241
Weighted residual factors for significantly intense reflections	0.3079
Weighted residual factors for all reflections included in the refinement	0.3304
Goodness-of-fit parameter for all reflections included in the refinement	1.172
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
180522 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/91.	7219120.cif
133210	2015-03-06	cif/ Updating files of 7219120 Original log message: Adding full bibliography for 7219120.cif.	7219120.cif
128819	2014-12-18	cif/ Adding structures of 7219120 via cif-deposit CGI script.	7219120.cif