Crystallography Open Database

Information card for entry 1571920

1571919 << 1571920 >> 1571921

Preview

Coordinates	1571920.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C93 H61 Cl3 N8 O2
Calculated formula	C93 H61 Cl3 N8 O2
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	14.901 ± 0.0004 Å
b	14.901 ± 0.0004 Å
c	64.976 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	14427.3 ± 0.9 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	5
Space group number	92
Hermann-Mauguin space group symbol	P 41 21 2
Hall space group symbol	P 4abw 2nw
Residual factor for all reflections	0.1378
Residual factor for significantly intense reflections	0.1089
Weighted residual factors for significantly intense reflections	0.2827
Weighted residual factors for all reflections included in the refinement	0.306
Goodness-of-fit parameter for all reflections included in the refinement	1.031
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
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.	1571920.cif
292431	2024-06-18	cif/ Adding structures of 1571920, 1571921, 1571922 via cif-deposit CGI script.	1571920.cif