Crystallography Open Database

Information card for entry 4120581

4120580 << 4120581 >> 4120582

Preview

Coordinates	4120581.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H8.5 N3.5 O5
Calculated formula	C12 H8.5 N3.5 O5
Title of publication	Aromatic Oligoamide β-Sheet Foldamers.
Authors of publication	Sebaoun, Laure; Maurizot, Victor; Granier, Thierry; Kauffmann, Brice; Huc, Ivan
Journal of publication	Journal of the American Chemical Society
Year of publication	2014
Journal volume	136
Journal issue	5
Pages of publication	2168 - 2174
a	15.984 ± 0.001 Å
b	16.622 ± 0.007 Å
c	9.16 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	2433.7 ± 1.1 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.0618
Residual factor for significantly intense reflections	0.0507
Weighted residual factors for significantly intense reflections	0.1404
Weighted residual factors for all reflections included in the refinement	0.1518
Goodness-of-fit parameter for all reflections included in the refinement	1.032
Diffraction radiation wavelength	1.5418 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4120581.html