Crystallography Open Database

Information card for entry 1572409

Preview

Coordinates	1572409.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C70 H60 B N3
Calculated formula	C70 H60 B N3
Title of publication	Efficient circularly polarized multiple resonance thermally activated delayed fluorescence from B,N-embedded hetero[8]helicene enantiomers.
Authors of publication	Huang, Tingting; Yuan, Li; Lu, Xueying; Qu, Yupei; Qu, Cheng; Xu, Yincai; Zheng, You-Xuan; Wang, Yue
Journal of publication	Chemical science
Year of publication	2024
Journal volume	15
Journal issue	37
Pages of publication	15170 - 15177
a	11.1226 ± 0.0007 Å
b	15.8329 ± 0.0009 Å
c	15.9866 ± 0.0009 Å
α	104.893 ± 0.002°
β	90.229 ± 0.002°
γ	96.128 ± 0.002°
Cell volume	2703.7 ± 0.3 Å³
Cell temperature	295 K
Ambient diffraction temperature	295 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1271
Residual factor for significantly intense reflections	0.0762
Weighted residual factors for significantly intense reflections	0.1967
Weighted residual factors for all reflections included in the refinement	0.241
Goodness-of-fit parameter for all reflections included in the refinement	1.028
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
295178 (current)	2024-10-06	cif/ Updating files of 1572409 Original log message: Adding full bibliography for 1572409.cif.	1572409.cif
294246	2024-08-29	cif/ Adding structures of 1572409 via cif-deposit CGI script.	1572409.cif