Crystallography Open Database

Information card for entry 1550944

Preview

Coordinates	1550944.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	4CzDPDPO2A
Formula	C72 H46 N4 O2 P2
Calculated formula	C72 H46 N4 O2 P2
SMILES	P1(=O)(c2cc(n3c4c(c5c3cccc5)cccc4)c(n3c4c(c5c3cccc5)cccc4)cc2P(=O)(c2cc(n3c4c(c5c3cccc5)cccc4)c(n3c4c(c5c3cccc5)cccc4)cc12)c1ccccc1)c1ccccc1
Title of publication	High-Efficiency Blue Thermally Activated Delayed Fluorescence from Donor-Acceptor-Donor Systems via Through-Space Conjugation Effect
Authors of publication	Xu, Hui; Gao, Feifei; Du, Ruiming; Han, Chunmiao; Zhang, Jing; Wei, Ying; Lu, Guang
Journal of publication	Chemical Science
Year of publication	2019
a	13.991 ± 0.005 Å
b	17.18 ± 0.005 Å
c	17.219 ± 0.005 Å
α	117.591 ± 0.005°
β	103.404 ± 0.005°
γ	92.633 ± 0.005°
Cell volume	3511.4 ± 1.9 Å³
Ambient diffraction temperature	295 ± 2 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	0.142
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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