Crystallography Open Database

Information card for entry 1568563

Preview

Coordinates	1568563.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C53 H56 B Cl4 N3
Calculated formula	C53 H56 B Cl4 N3
Title of publication	Dynamic bond interactions fine-tune the properties of multiple resonance emitters towards highly efficient narrowband green OLEDs.
Authors of publication	Zou, Yang; Yu, Mingxin; Miao, Jingsheng; Huang, Taian; Liao, Shuokun; Cao, Xiaosong; Yang, Chuluo
Journal of publication	Chemical science
Year of publication	2023
Journal volume	14
Journal issue	12
Pages of publication	3326 - 3331
a	11.4044 ± 0.0004 Å
b	11.659 ± 0.0004 Å
c	18.3508 ± 0.0006 Å
α	77.642 ± 0.001°
β	77.549 ± 0.001°
γ	83.582 ± 0.001°
Cell volume	2321.88 ± 0.14 Å³
Cell temperature	120 K
Ambient diffraction temperature	120 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	0.149
Residual factor for significantly intense reflections	0.0969
Weighted residual factors for significantly intense reflections	0.2507
Weighted residual factors for all reflections included in the refinement	0.3011
Goodness-of-fit parameter for all reflections included in the refinement	1.04
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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