Crystallography Open Database

Information card for entry 4033873

Preview

Coordinates	4033873.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C161 H181.5 F12 N16.5 Na2 O18 P2
Calculated formula	C161 H176 F12 N16.5 Na2 O18 P2
Title of publication	Reverse Turn and Loop Secondary Structures in Stereodefined Cyclic Peptoid Scaffolds.
Authors of publication	D'Amato, Assunta; Pierri, Giovanni; Tedesco, Consiglia; Della Sala, Giorgio; Izzo, Irene; Costabile, Chiara; De Riccardis, Francesco
Journal of publication	The Journal of organic chemistry
Year of publication	2019
Journal volume	84
Journal issue	17
Pages of publication	10911 - 10928
a	20.141 ± 0.003 Å
b	20.141 ± 0.003 Å
c	10.316 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	4184.8 ± 1.5 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	7
Space group number	75
Hermann-Mauguin space group symbol	P 4
Hall space group symbol	P 4
Residual factor for all reflections	0.0577
Residual factor for significantly intense reflections	0.0556
Weighted residual factors for significantly intense reflections	0.1679
Weighted residual factors for all reflections included in the refinement	0.1707
Goodness-of-fit parameter for all reflections included in the refinement	1.052
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
222446 (current)	2019-11-04	cif/ Adding structures of 4033869, 4033870, 4033871, 4033872, 4033873 via cif-deposit CGI script.	4033873.cif