Crystallography Open Database

Information card for entry 4124889

Preview

Coordinates	4124889.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C49 H89 N13 O12 Si
Calculated formula	C49 H89 N13 O12 Si
Title of publication	Length-Dependent Formation of Transmembrane Pores by 310-Helical α-Aminoisobutyric Acid Foldamers.
Authors of publication	Jones, Jennifer E.; Diemer, Vincent; Adam, Catherine; Raftery, James; Ruscoe, Rebecca E.; Sengel, Jason T.; Wallace, Mark I.; Bader, Antoine; Cockroft, Scott L.; Clayden, Jonathan; Webb, Simon J.
Journal of publication	Journal of the American Chemical Society
Year of publication	2016
Journal volume	138
Journal issue	2
Pages of publication	688 - 695
a	39.3342 ± 0.0012 Å
b	18.0326 ± 0.0005 Å
c	73.883 ± 0.002 Å
α	90°
β	96.068 ± 0.002°
γ	90°
Cell volume	52111 ± 3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0963
Residual factor for significantly intense reflections	0.0801
Weighted residual factors for significantly intense reflections	0.22
Weighted residual factors for all reflections included in the refinement	0.2401
Goodness-of-fit parameter for all reflections included in the refinement	1.032
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
175686 (current)	2016-02-04	cif/ Adding structures of 4124887, 4124888, 4124889 via cif-deposit CGI script.	4124889.cif