Crystallography Open Database

Information card for entry 1568675

Preview

Coordinates	1568675.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H44 Cl3 N3 O Si
Calculated formula	C30 H44 Cl3 N3 O Si
Title of publication	Bent-to-planar Si-rhodamines: a distinct rehybridization lights up NIR-II fluorescence for tracking nitric oxide in the Alzheimer's disease brain.
Authors of publication	Xu, Qingshuang; Zhang, Yutao; Zhu, Mingming; Yan, Chenxu; Mao, Wenle; Zhu, Wei-Hong; Guo, Zhiqian
Journal of publication	Chemical science
Year of publication	2023
Journal volume	14
Journal issue	15
Pages of publication	4091 - 4101
a	10.8497 ± 0.0008 Å
b	15.4899 ± 0.0012 Å
c	20.3611 ± 0.0014 Å
α	90°
β	97.135 ± 0.002°
γ	90°
Cell volume	3395.4 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
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	0.1143
Residual factor for significantly intense reflections	0.0718
Weighted residual factors for significantly intense reflections	0.1771
Weighted residual factors for all reflections included in the refinement	0.2144
Goodness-of-fit parameter for all reflections included in the refinement	1.034
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
283186 (current)	2023-05-05	cif/ Updating files of 1568674, 1568675, 1568676 Original log message: Adding full bibliography for 1568674--1568676.cif.	1568675.cif
281918	2023-03-17	cif/ Adding structures of 1568674, 1568675, 1568676 via cif-deposit CGI script.	1568675.cif