Crystallography Open Database

Information card for entry 1571922

1571921 << 1571922 >> 1571923

Preview

Coordinates	1571922.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C93 H66 Cl2 N8 Se2
Calculated formula	C93 H66 Cl2 N8 Se2
Title of publication	Multi-heteroatom doped nanographenes: enhancing photosensitization capacity by forming an electron donor-acceptor architecture.
Authors of publication	Li, Ranran; Ma, Bin; Li, Meng; Wang, Dan; Liu, Peng; An, Peng
Journal of publication	Chemical science
Year of publication	2024
Journal volume	15
Journal issue	29
Pages of publication	11408 - 11417
a	13.9675 ± 0.001 Å
b	15.5987 ± 0.0011 Å
c	17.3739 ± 0.0013 Å
α	101.977 ± 0.003°
β	92.5 ± 0.003°
γ	105.115 ± 0.003°
Cell volume	3555.6 ± 0.5 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0418
Residual factor for significantly intense reflections	0.039
Weighted residual factors for significantly intense reflections	0.0945
Weighted residual factors for all reflections included in the refinement	0.0962
Goodness-of-fit parameter for all reflections included in the refinement	1.071
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
293735 (current)	2024-08-05	cif/ Updating files of 1571920, 1571921, 1571922 Original log message: Adding full bibliography for 1571920--1571922.cif.	1571922.cif
292431	2024-06-18	cif/ Adding structures of 1571920, 1571921, 1571922 via cif-deposit CGI script.	1571922.cif