Crystallography Open Database

Information card for entry 1570221

Preview

Coordinates	1570221.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C55 H73 Na O10
Calculated formula	C47 H57 Na O8
Title of publication	Stepwise deprotonation of truxene: structures, metal complexation, and charge-dependent optical properties.
Authors of publication	Guo, Yumeng; Torchon, Herdya S.; Zhu, Yikun; Wei, Zheng; Zhang, Zhenyi; Han, Haixiang; Petrukhina, Marina A.; Zhou, Zheng
Journal of publication	Chemical science
Year of publication	2023
Journal volume	14
Journal issue	45
Pages of publication	13219 - 13227
a	16.8733 ± 0.0006 Å
b	15.5281 ± 0.0006 Å
c	19.2855 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	5053 ± 0.3 Å³
Cell temperature	140 ± 2 K
Ambient diffraction temperature	140 ± 2 K
Number of distinct elements	4
Space group number	52
Hermann-Mauguin space group symbol	P n n a
Hall space group symbol	-P 2a 2bc
Residual factor for all reflections	0.1277
Residual factor for significantly intense reflections	0.0738
Weighted residual factors for significantly intense reflections	0.2201
Weighted residual factors for all reflections included in the refinement	0.2714
Goodness-of-fit parameter for all reflections included in the refinement	1.04
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
288771 (current)	2024-01-06	cif/ Updating files of 1570220, 1570221, 1570222, 1570223, 1570224, 1570225 Original log message: Adding full bibliography for 1570220--1570225.cif.	1570221.cif
287178	2023-11-01	cif/ Adding structures of 1570220, 1570221, 1570222, 1570223, 1570224, 1570225 via cif-deposit CGI script.	1570221.cif