Crystallography Open Database

Information card for entry 1570225

Preview

Coordinates	1570225.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C75 H111 K3 O21
Calculated formula	C71 H103 K3 O20
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	13.4467 ± 0.0007 Å
b	15.8867 ± 0.0009 Å
c	18.3239 ± 0.001 Å
α	90°
β	102.386 ± 0.001°
γ	90°
Cell volume	3823.3 ± 0.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0953
Residual factor for significantly intense reflections	0.0838
Weighted residual factors for significantly intense reflections	0.2536
Weighted residual factors for all reflections included in the refinement	0.2668
Goodness-of-fit parameter for all reflections included in the refinement	1.043
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.41328 Å
Diffraction radiation type	synchrotron
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.	1570225.cif
287178	2023-11-01	cif/ Adding structures of 1570220, 1570221, 1570222, 1570223, 1570224, 1570225 via cif-deposit CGI script.	1570225.cif