Crystallography Open Database

Information card for entry 1576363

Preview

Coordinates	1576363.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H26 N6
Calculated formula	C36 H26 N6
Title of publication	Fine-Tuning J-Aggregation via Steric Hindrance for High-Efficiency NIR-II Bioimaging and Photothermal Therapy
Authors of publication	Xia, Wen-Li; Ran, Xiaoyun; Zhao, Yu; Zhang, Hong; Zhou, Qian; Yu, Xiao-Qi; Li, Kun
Journal of publication	Materials Horizons
Year of publication	2026
a	28.97 ± 0.006 Å
b	15.428 ± 0.003 Å
c	14.241 ± 0.002 Å
α	90°
β	107.4 ± 0.011°
γ	90°
Cell volume	6074 ± 2 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	3
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1185
Residual factor for significantly intense reflections	0.0619
Weighted residual factors for significantly intense reflections	0.1362
Weighted residual factors for all reflections included in the refinement	0.161
Goodness-of-fit parameter for all reflections included in the refinement	0.979
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/1576363.html