Crystallography Open Database

Information card for entry 1575722

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Coordinates	1575722.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H37 B11 N2
Calculated formula	C15 H37 B11 N2
Title of publication	Microwave-assisted Pd-catalyzed B-N cross-coupling for efficient functionalization of the carbaborate [CB<sub>11</sub>H<sub>12</sub>]<sup/>.
Authors of publication	Jin, Yujie; Chen, Lianyu; Jiang, Chennuo; Liu, Jiyong; Zhang, Kang; Duttwyler, Simon
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2025
Journal volume	61
Journal issue	83
Pages of publication	16262 - 16265
a	10.6892 ± 0.0007 Å
b	16.9696 ± 0.0011 Å
c	25.4052 ± 0.0018 Å
α	90°
β	90°
γ	90°
Cell volume	4608.3 ± 0.5 Å³
Cell temperature	170 K
Ambient diffraction temperature	170 K
Number of distinct elements	4
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.094
Residual factor for significantly intense reflections	0.067
Weighted residual factors for significantly intense reflections	0.1785
Weighted residual factors for all reflections included in the refinement	0.2012
Goodness-of-fit parameter for all reflections included in the refinement	1.056
Diffraction radiation wavelength	1.34139 Å
Diffraction radiation type	GaKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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