Crystallography Open Database

Information card for entry 4131606

Preview

Coordinates	4131606.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C269.5 H521.4 N32 O47.17
Calculated formula	C269.516 H521.376 N32 O47.172
Title of publication	Homogeneous and Robust Polyproline Type I Helices from Peptoids with Nonaromatic α-Chiral Side Chains.
Authors of publication	Roy, Olivier; Dumonteil, Geoffrey; Faure, Sophie; Jouffret, Laurent; Kriznik, Alexandre; Taillefumier, Claude
Journal of publication	Journal of the American Chemical Society
Year of publication	2017
Journal volume	139
Journal issue	38
Pages of publication	13533 - 13540
a	17.686 ± 0.004 Å
b	19.331 ± 0.004 Å
c	23.621 ± 0.005 Å
α	90 ± 0.03°
β	90 ± 0.03°
γ	90 ± 0.03°
Cell volume	8076 ± 3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.1004
Residual factor for significantly intense reflections	0.0787
Weighted residual factors for significantly intense reflections	0.2156
Weighted residual factors for all reflections included in the refinement	0.2352
Goodness-of-fit parameter for all reflections included in the refinement	1.05
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
241784 (current)	2019-11-25	cif/ Adding structures of 4131606 via cif-deposit CGI script.	4131606.cif