Crystallography Open Database

Information card for entry 4111797

Preview

Coordinates	4111797.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H19 N O3
Calculated formula	C21 H19 N O3
Title of publication	Terphenyl-Based Bak BH3 α-Helical Proteomimetics as Low-Molecular-Weight Antagonists of Bcl-xL
Authors of publication	Hang Yin; Gui-in Lee; Kristine A. Sedey; Olaf Kutzki; Hyung Soon Park; Brendan P. Orner; Justin T. Ernst; Hong-Gang Wang; Said M. Sebti; Andrew D. Hamilton
Journal of publication	Journal of the American Chemical Society
Year of publication	2005
Journal volume	127
Pages of publication	10191 - 10196
a	8.3411 ± 0.0003 Å
b	11.494 ± 0.001 Å
c	17.698 ± 0.001 Å
α	90°
β	92.327 ± 0.002°
γ	90°
Cell volume	1695.35 ± 0.19 Å³
Cell temperature	296.2 K
Ambient diffraction temperature	296.2 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	0.0496
Weighted residual factors for significantly intense reflections	0.0621
Goodness-of-fit parameter for significantly intense reflections	2.828
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKalpha
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4111797.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4111797.cif
63409	2012-08-01	cif/ Adding structures of 4111797 via cif-deposit CGI script.	4111797.cif