Crystallography Open Database

Information card for entry 1544422

Preview

Coordinates	1544422.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	0334-107-2
Chemical name	zuckermann30
Formula	C22 H26 N2 O2
Calculated formula	C22 H26 N2 O2
SMILES	O=C1N(CC(=O)N(C1)CCc1ccccc1C)CCc1ccccc1C
Title of publication	Molecular Engineering of the Peptoid Nanosheet Hydrophobic Core.
Authors of publication	Robertson, Ellen J.; Proulx, Caroline; Su, Jessica K.; Garcia, Rita L.; Yoo, Stan; Nehls, Eric M.; Connolly, Michael D.; Taravati, Laudann; Zuckermann, Ronald N.
Journal of publication	Langmuir : the ACS journal of surfaces and colloids
Year of publication	2016
Journal volume	32
Journal issue	45
Pages of publication	11946
a	11.3119 ± 0.0002 Å
b	7.3309 ± 0.0002 Å
c	22.1215 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	1834.46 ± 0.07 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0583
Residual factor for significantly intense reflections	0.0423
Weighted residual factors for significantly intense reflections	0.0982
Weighted residual factors for all reflections included in the refinement	0.1082
Goodness-of-fit parameter for all reflections included in the refinement	1.035
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
204147 (current)	2017-12-11	cif/ Correcting the '_space_group.centring_type' data item enumeration values with the help of the cif_fix_values script from the cod-tools package revision 5887.	1544422.cif
188910	2016-12-05	cif/ Updating files of 1544416, 1544417, 1544418, 1544419, 1544420, 1544421, 1544422 Original log message: Adding full bibliography for 1544416--1544422.cif.	1544422.cif
187699	2016-10-30	cif/ Adding structures of 1544422 via cif-deposit CGI script.	1544422.cif