Crystallography Open Database

Information card for entry 1570410

Preview

Coordinates	1570410.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H4 Cl4 N0.25 O6
Calculated formula	C24 H6 Cl4 O6
SMILES	Clc1cc2c3c4c(c5c(Cl)cc6C(=O)OC(=O)c7c6c5c(c14)c(Cl)c7)c(Cl)cc3C(=O)OC2=O
Title of publication	NIR-II photothermal conversion and imaging based on a cocrystal containing twisted components.
Authors of publication	Li, Tao; Liu, Jia-Chuan; Liu, En-Ping; Liu, Bai-Tong; Wang, Jing-Yu; Liao, Pei-Yu; Jia, Jian-Hua; Feng, Yuanning; Tong, Ming-Liang
Journal of publication	Chemical science
Year of publication	2024
Journal volume	15
Journal issue	5
Pages of publication	1692 - 1699
a	13.343 ± 0.008 Å
b	10.807 ± 0.006 Å
c	14.322 ± 0.009 Å
α	90°
β	111.45 ± 0.02°
γ	90°
Cell volume	1922 ± 2 Å³
Cell temperature	201 ± 2 K
Ambient diffraction temperature	201.34 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0409
Residual factor for significantly intense reflections	0.0325
Weighted residual factors for significantly intense reflections	0.0843
Weighted residual factors for all reflections included in the refinement	0.0889
Goodness-of-fit parameter for all reflections included in the refinement	1.018
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
289400 (current)	2024-02-04	cif/ Updating files of 1570409, 1570410 Original log message: Adding full bibliography for 1570409--1570410.cif.	1570410.cif
287847	2023-11-29	cif/ Adding structures of 1570409, 1570410 via cif-deposit CGI script.	1570410.cif