Crystallography Open Database

Information card for entry 7135289

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Coordinates	7135289.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C9 H18 B9 N O2
Calculated formula	C9 H18 B9 N O2
Title of publication	Metal-free regioselective B–O coupling in carboranes for constructing aggregation-induced emission luminogens
Authors of publication	Li, Xinrui; Zhou, Ningning; Tu, Deshuang; Lu, Chang-sheng; Yan, Hong
Journal of publication	Chemical Communications
Year of publication	2026
a	7.035 ± 0.003 Å
b	9.707 ± 0.004 Å
c	11.99 ± 0.005 Å
α	97.167 ± 0.014°
β	102.787 ± 0.013°
γ	102.826 ± 0.014°
Cell volume	765.4 ± 0.6 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 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	0.0993
Residual factor for significantly intense reflections	0.0687
Weighted residual factors for significantly intense reflections	0.1898
Weighted residual factors for all reflections included in the refinement	0.2126
Goodness-of-fit parameter for all reflections included in the refinement	1.075
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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