Crystallography Open Database

Information card for entry 1570224

Preview

Coordinates	1570224.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C51 H64 Cs2 O12
Calculated formula	C51 H64 Cs2 O12
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	21.0136 ± 0.001 Å
b	12.7649 ± 0.0006 Å
c	21.1357 ± 0.001 Å
α	90°
β	118.744 ± 0.002°
γ	90°
Cell volume	4970.8 ± 0.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
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	0.0492
Residual factor for significantly intense reflections	0.041
Weighted residual factors for significantly intense reflections	0.0731
Weighted residual factors for all reflections included in the refinement	0.0751
Goodness-of-fit parameter for all reflections included in the refinement	1.334
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
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.	1570224.cif
287178	2023-11-01	cif/ Adding structures of 1570220, 1570221, 1570222, 1570223, 1570224, 1570225 via cif-deposit CGI script.	1570224.cif