Crystallography Open Database

Information card for entry 7133375

Preview

Coordinates	7133375.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	foldax
Formula	C314 H312 Cl3 F10 N49 O47
Calculated formula	C314 H312 Cl3 F10 N49 O47
Title of publication	Photon-gated foldaxane assembly/disassembly.
Authors of publication	Yao, Chenhao; Gole, Bappaditya; Bui, Anh Thy; Kauffmann, Brice; Huc, Ivan; McClenaghan, Nathan D.; Ferrand, Yann
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2024
Journal volume	60
Journal issue	64
Pages of publication	8415 - 8418
a	23.7615 ± 0.0004 Å
b	24.0825 ± 0.0004 Å
c	35.9358 ± 0.0006 Å
α	101.204 ± 0.0015°
β	91.4858 ± 0.0014°
γ	111.906 ± 0.0018°
Cell volume	18605.5 ± 0.6 Å³
Cell temperature	135 K
Ambient diffraction temperature	135 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1303
Residual factor for significantly intense reflections	0.1015
Weighted residual factors for significantly intense reflections	0.3192
Weighted residual factors for all reflections included in the refinement	0.351
Goodness-of-fit parameter for all reflections included in the refinement	1.313
Diffraction radiation probe	x-ray
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
294422 (current)	2024-09-06	cif/ Updating files of 7133375 Original log message: Adding full bibliography for 7133375.cif.	7133375.cif
293475	2024-07-20	cif/ Adding structures of 7133375 via cif-deposit CGI script.	7133375.cif