Crystallography Open Database

Information card for entry 7135293

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Coordinates	7135293.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C7 H14 B9 Cl2 N
Calculated formula	C7 H14 B9 Cl2 N
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	20.226 ± 0.005 Å
b	7.0287 ± 0.0016 Å
c	19.947 ± 0.005 Å
α	90°
β	96.446 ± 0.006°
γ	90°
Cell volume	2817.8 ± 1.2 Å³
Cell temperature	193 K
Ambient diffraction temperature	193 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1166
Residual factor for significantly intense reflections	0.0851
Weighted residual factors for significantly intense reflections	0.2367
Weighted residual factors for all reflections included in the refinement	0.266
Goodness-of-fit parameter for all reflections included in the refinement	0.995
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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