Crystallography Open Database

Information card for entry 7159079

Preview

Coordinates	7159079.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C262 H266 Cl24 N40 O42
Calculated formula	C262 H176 Cl24 N40 O42
Title of publication	Molecular torsion springs: alteration of helix curvature in frustrated tertiary folds.
Authors of publication	Menke, Friedericke S.; Mazzier, Daniela; Wicher, Barbara; Allmendinger, Lars; Kauffmann, Brice; Maurizot, Victor; Huc, Ivan
Journal of publication	Organic & biomolecular chemistry
Year of publication	2023
Journal volume	21
Journal issue	6
Pages of publication	1275 - 1283
a	18.218 ± 0.0006 Å
b	18.4206 ± 0.0006 Å
c	29.4522 ± 0.001 Å
α	105.871 ± 0.003°
β	95.14 ± 0.003°
γ	114.061 ± 0.003°
Cell volume	8450.4 ± 0.6 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1777
Residual factor for significantly intense reflections	0.1624
Weighted residual factors for significantly intense reflections	0.4515
Weighted residual factors for all reflections included in the refinement	0.4671
Goodness-of-fit parameter for all reflections included in the refinement	1.811
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
281584 (current)	2023-03-04	cif/ Updating files of 7159079, 7159080 Original log message: Adding full bibliography for 7159079--7159080.cif.	7159079.cif
280361	2023-01-17	cif/ Adding structures of 7159079, 7159080 via cif-deposit CGI script.	7159079.cif