Crystallography Open Database

Information card for entry 7135292

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Coordinates	7135292.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C7 H15 B9 Cl N
Calculated formula	C7 H15 B9 Cl 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	20.3463 ± 0.001 Å
b	6.4323 ± 0.0004 Å
c	20.4209 ± 0.0009 Å
α	90°
β	103.65 ± 0.002°
γ	90°
Cell volume	2597.1 ± 0.2 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	0.0549
Residual factor for significantly intense reflections	0.0416
Weighted residual factors for significantly intense reflections	0.1087
Weighted residual factors for all reflections included in the refinement	0.12
Goodness-of-fit parameter for all reflections included in the refinement	1.0385
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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