Crystallography Open Database

Information card for entry 1571525

Preview

Coordinates	1571525.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C51 H42 Br2 N2 O7
Calculated formula	C51 H46 Br2 N2 O7
Title of publication	Employing racemization strategies to simultaneously enhance the quantum yield, lifetime, and water stability of room-temperature phosphorescent materials.
Authors of publication	Lin, Zenggang; Zhang, Peng; Song, Fuqiang; Yang, Yuzhu; Miao, Xuan; Liu, Weisheng
Journal of publication	Chemical science
Year of publication	2024
Journal volume	15
Journal issue	21
Pages of publication	8052 - 8061
a	36.1548 ± 0.0008 Å
b	10.7003 ± 0.0002 Å
c	12.0413 ± 0.0002 Å
α	90°
β	97.414 ± 0.002°
γ	90°
Cell volume	4619.44 ± 0.16 Å³
Cell temperature	150 ± 0.1 K
Ambient diffraction temperature	150 ± 0.1 K
Number of distinct elements	5
Space group number	5
Hermann-Mauguin space group symbol	C 1 2 1
Hall space group symbol	C 2y
Residual factor for all reflections	0.0548
Residual factor for significantly intense reflections	0.0478
Weighted residual factors for significantly intense reflections	0.1336
Weighted residual factors for all reflections included in the refinement	0.1403
Goodness-of-fit parameter for all reflections included in the refinement	1.129
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
292930 (current)	2024-07-05	cif/ Updating files of 1571524, 1571525, 1571526, 1571527 Original log message: Adding full bibliography for 1571524--1571527.cif.	1571525.cif
291459	2024-05-03	cif/ Adding structures of 1571524, 1571525, 1571526, 1571527 via cif-deposit CGI script.	1571525.cif