Crystallography Open Database

Information card for entry 1570223

Preview

Coordinates	1570223.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C39 H41 Cs O6
Calculated formula	C39 H41 Cs O6
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	20.9133 ± 0.0009 Å
b	9.6671 ± 0.0003 Å
c	17.8849 ± 0.0007 Å
α	90°
β	112.375 ± 0.0012°
γ	90°
Cell volume	3343.6 ± 0.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0294
Residual factor for significantly intense reflections	0.0266
Weighted residual factors for significantly intense reflections	0.0542
Weighted residual factors for all reflections included in the refinement	0.0548
Goodness-of-fit parameter for all reflections included in the refinement	1.132
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.41329 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.	1570223.cif
287178	2023-11-01	cif/ Adding structures of 1570220, 1570221, 1570222, 1570223, 1570224, 1570225 via cif-deposit CGI script.	1570223.cif