Crystallography Open Database

Information card for entry 7133361

Preview

Coordinates	7133361.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C47 H65 F9 N10 O16
Calculated formula	C47 H65 F9 N10 O16
Title of publication	Incorporation of CF<sub>3</sub>-pseudoprolines into polyproline type II foldamers confers promising biophysical features.
Authors of publication	Cayrou, Chloé; Walrant, Astrid; Ravault, Delphine; Guitot, Karine; Noinville, Sylvie; Sagan, Sandrine; Brigaud, Thierry; Gonzalez, Simon; Ongeri, Sandrine; Chaume, Grégory
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2024
Journal volume	60
Journal issue	65
Pages of publication	8609 - 8612
a	6.7234 ± 0.0016 Å
b	10.105 ± 0.002 Å
c	19.638 ± 0.005 Å
α	91.057 ± 0.019°
β	90.07 ± 0.02°
γ	93.418 ± 0.018°
Cell volume	1331.6 ± 0.5 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	5
Space group number	1
Hermann-Mauguin space group symbol	P 1
Hall space group symbol	P 1
Residual factor for all reflections	0.1488
Residual factor for significantly intense reflections	0.1101
Weighted residual factors for significantly intense reflections	0.2404
Weighted residual factors for all reflections included in the refinement	0.26
Goodness-of-fit parameter for all reflections included in the refinement	1.078
Diffraction radiation probe	x-ray
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
294444 (current)	2024-09-06	cif/ Updating files of 7133361 Original log message: Adding full bibliography for 7133361.cif.	7133361.cif
293442	2024-07-18	cif/ Adding structures of 7133361 via cif-deposit CGI script.	7133361.cif