Crystallography Open Database

Information card for entry 1576313

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Coordinates	1576313.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C80 H87 B N2 O4
Calculated formula	C72 H63 B N2
Title of publication	Orthogonal Di-Spiro Skeleton Engineering on Suppressing π-π Stacking and Spectral Broadening for High-Performance Narrowband Electroluminescence
Authors of publication	Li, Hao-Ze; Yang, Yu-Tao; Zhao, Yi-Cheng; Xie, Feng-Ming; Tang, Jianxin; Li, Yanqing
Journal of publication	Materials Horizons
Year of publication	2025
a	14.2644 ± 0.0004 Å
b	17.5784 ± 0.0005 Å
c	26.3039 ± 0.0007 Å
α	90°
β	98.416 ± 0.001°
γ	90°
Cell volume	6524.6 ± 0.3 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	0.0709
Residual factor for significantly intense reflections	0.0446
Weighted residual factors for significantly intense reflections	0.1126
Weighted residual factors for all reflections included in the refinement	0.1262
Goodness-of-fit parameter for all reflections included in the refinement	1.0461
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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