Crystallography Open Database

Information card for entry 1573990

Preview

Coordinates	1573990.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H17 N2 O4 Re S2
Calculated formula	C10 H17 N2 O4 Re S2
Title of publication	Cysteine-selective [<sup>188</sup>Re]Re(v) radiolabelling of a Nanobody® for targeted radionuclide therapy using a "chelate-then-click" approach.
Authors of publication	Melis, Diana R.; Segers, Charlotte; Wellens, Jasmien; Van de Voorde, Michiel; Blacque, Olivier; Ooms, Maarten; Gasser, Gilles; Opsomer, Tomas
Journal of publication	Chemical science
Year of publication	2025
Journal volume	16
Journal issue	14
Pages of publication	6089 - 6098
a	7.79663 ± 0.00015 Å
b	10.5671 ± 0.0002 Å
c	18.0745 ± 0.0003 Å
α	90°
β	101.425 ± 0.0018°
γ	90°
Cell volume	1459.61 ± 0.05 Å³
Cell temperature	160 ± 1 K
Ambient diffraction temperature	160 ± 1 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0271
Residual factor for significantly intense reflections	0.0266
Weighted residual factors for significantly intense reflections	0.0578
Weighted residual factors for all reflections included in the refinement	0.058
Goodness-of-fit parameter for all reflections included in the refinement	1.276
Diffraction radiation probe	x-ray
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
298785 (current)	2025-04-05	cif/ Updating files of 1573990, 1573991 Original log message: Adding full bibliography for 1573990--1573991.cif.	1573990.cif
297883	2025-02-27	cif/ Adding structures of 1573990, 1573991 via cif-deposit CGI script.	1573990.cif