Crystallography Open Database

Information card for entry 7718657

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Coordinates	7718657.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H29 B10 N
Calculated formula	C16 H29 B10 N
Title of publication	Catalytic regioselective 3,4-difunctionalization of 3-iodo-<i>o</i>-carborane <i>via</i> Pd migration.
Authors of publication	Jiang, Xianren; Ding, Chang-Hua; Qiu, Zaozao; Xie, Zuowei
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2025
Journal volume	54
Journal issue	22
Pages of publication	8764 - 8768
a	6.7189 ± 0.0001 Å
b	18.2589 ± 0.0003 Å
c	8.2179 ± 0.0001 Å
α	90°
β	95.112 ± 0.001°
γ	90°
Cell volume	1004.16 ± 0.03 Å³
Cell temperature	170 K
Ambient diffraction temperature	170 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0428
Residual factor for significantly intense reflections	0.0374
Weighted residual factors for significantly intense reflections	0.0961
Weighted residual factors for all reflections included in the refinement	0.0994
Goodness-of-fit parameter for all reflections included in the refinement	1.044
Diffraction radiation wavelength	1.34139 Å
Diffraction radiation type	GaKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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