Crystallography Open Database

Information card for entry 1568085

Preview

Coordinates	1568085.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C35 H34.5 N2 O4.5 S
Calculated formula	C35 H34.5 N2 O4.5 S
Title of publication	Unveiling upsurge of photogenerated ROS: control of intersystem crossing through tuning aggregation patterns.
Authors of publication	Wang, Junjun; Li, Hao; Zhu, Yicai; Yang, Mingdi; Huang, Jing; Zhu, Xiaojiao; Yu, Zhi-Peng; Lu, Zhou; Zhou, Hongping
Journal of publication	Chemical science
Year of publication	2023
Journal volume	14
Journal issue	2
Pages of publication	323 - 330
a	9.561 ± 0.006 Å
b	10.771 ± 0.01 Å
c	32.42 ± 0.02 Å
α	89.714 ± 0.012°
β	83.055 ± 0.008°
γ	76.393 ± 0.007°
Cell volume	3220 ± 4 Å³
Cell temperature	296.15 K
Ambient diffraction temperature	296.15 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	0.2812
Residual factor for significantly intense reflections	0.1398
Weighted residual factors for significantly intense reflections	0.3571
Weighted residual factors for all reflections included in the refinement	0.4413
Goodness-of-fit parameter for all reflections included in the refinement	1.108
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
281367 (current)	2023-03-04	cif/ Updating files of 1568084, 1568085 Original log message: Adding full bibliography for 1568084--1568085.cif.	1568085.cif
279837	2022-12-13	cif/ Adding structures of 1568084, 1568085 via cif-deposit CGI script.	1568085.cif