Crystallography Open Database

Information card for entry 1568564

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Coordinates	1568564.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	29.338 ± 0.003 Å
b	11.2565 ± 0.0011 Å
c	16.2958 ± 0.0016 Å
α	90°
β	90.366 ± 0.003°
γ	90°
Cell volume	5381.5 ± 0.9 Å³
Cell temperature	170 K
Ambient diffraction temperature	170 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1741
Residual factor for significantly intense reflections	0.1221
Weighted residual factors for significantly intense reflections	0.3676
Weighted residual factors for all reflections included in the refinement	0.4253
Goodness-of-fit parameter for all reflections included in the refinement	1.116
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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