Crystallography Open Database

Information card for entry 4516639

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Structure parameters

Formula	C36 H34 B N
Calculated formula	C36 H34 B N
SMILES	n1(c2ccccc2c2c1cccc2)c1ccc(B(c2c(cc(cc2C)C)C)c2c(cc(cc2C)C)C)cc1
Title of publication	Rigidity-Induced Delayed Fluorescence by Ortho Donor-Appended Triarylboron Compounds: Record-High Efficiency in Pure Blue Fluorescent Organic Light-Emitting Diodes.
Authors of publication	Lee, Young Hoon; Park, Sunghee; Oh, Jihun; Shin, Jong Won; Jung, Jaehoon; Yoo, Seunghyup; Lee, Min Hyung
Journal of publication	ACS applied materials & interfaces
Year of publication	2017
Journal volume	9
Journal issue	28
Pages of publication	24035 - 24042
a	13.112 ± 0.0004 Å
b	13.4058 ± 0.0004 Å
c	16.2914 ± 0.0005 Å
α	90°
β	101.021 ± 0.0015°
γ	90°
Cell volume	2810.84 ± 0.15 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
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	0.0626
Residual factor for significantly intense reflections	0.0478
Weighted residual factors for significantly intense reflections	0.122
Weighted residual factors for all reflections included in the refinement	0.1353
Goodness-of-fit parameter for all reflections included in the refinement	1.03
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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