Crystallography Open Database

Information card for entry 7240585

Preview

Coordinates	7240585.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C37 H37 N3 O6 S
Calculated formula	C37 H37 N3 O6 S
Title of publication	Lipofection with estrone-based luminophores featuring aggregation-induced emission properties
Authors of publication	Riebe, Steffen; Zimmermann, Alexander; Koch, Johannes; Vallet, Cecilia; Knauer, Shirley K.; Sowa, Andrea; Wölper, Christoph; Voskuhl, Jens
Journal of publication	RSC Advances
Year of publication	2020
Journal volume	10
Journal issue	33
Pages of publication	19643 - 19647
a	8.0733 ± 0.0012 Å
b	8.0733 ± 0.0012 Å
c	101.06 ± 0.017 Å
α	90°
β	90°
γ	90°
Cell volume	6586.9 ± 1.8 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	92
Hermann-Mauguin space group symbol	P 41 21 2
Hall space group symbol	P 4abw 2nw
Residual factor for all reflections	0.0989
Residual factor for significantly intense reflections	0.0985
Weighted residual factors for significantly intense reflections	0.2257
Weighted residual factors for all reflections included in the refinement	0.2258
Goodness-of-fit parameter for all reflections included in the refinement	1.347
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
258015 (current)	2020-10-06	cif/ Updating files of 7240585 Original log message: Adding full bibliography for 7240585.cif.	7240585.cif
252432	2020-05-28	cif/ Adding structures of 7240585 via cif-deposit CGI script.	7240585.cif