Crystallography Open Database

Information card for entry 1571921

1571920 << 1571921 >> 1571922

Preview

Coordinates	1571921.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C47 H34 Cl2 N4 O
Calculated formula	C47 H34 Cl2 N4 O
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	12.9051 ± 0.0005 Å
b	10.5743 ± 0.0005 Å
c	25.9985 ± 0.0013 Å
α	90°
β	95.55 ± 0.002°
γ	90°
Cell volume	3531.2 ± 0.3 Å³
Cell temperature	102 K
Ambient diffraction temperature	102 K
Number of distinct elements	5
Space group number	7
Hermann-Mauguin space group symbol	P 1 n 1
Hall space group symbol	P -2yac
Residual factor for all reflections	0.1055
Residual factor for significantly intense reflections	0.063
Weighted residual factors for significantly intense reflections	0.1392
Weighted residual factors for all reflections included in the refinement	0.1632
Goodness-of-fit parameter for all reflections included in the refinement	1.02
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
293735 (current)	2024-08-05	cif/ Updating files of 1571920, 1571921, 1571922 Original log message: Adding full bibliography for 1571920--1571922.cif.	1571921.cif
292431	2024-06-18	cif/ Adding structures of 1571920, 1571921, 1571922 via cif-deposit CGI script.	1571921.cif