Crystallography Open Database

Information card for entry 7128669

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Coordinates	7128669.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H52 B10
Calculated formula	C42 H52 B10
Title of publication	Pd-catalyzed selective tetrafunctionalization of diiodo-<i>o</i>-carboranes.
Authors of publication	Ge, Yixiu; Qiu, Zaozao; Xie, Zuowei
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2021
Journal volume	57
Journal issue	65
Pages of publication	8071 - 8074
a	12.1538 ± 0.0002 Å
b	18.859 ± 0.0003 Å
c	17.6061 ± 0.0003 Å
α	90°
β	99.467 ± 0.001°
γ	90°
Cell volume	3980.51 ± 0.11 Å³
Cell temperature	170 ± 2 K
Ambient diffraction temperature	169.99 K
Number of distinct elements	3
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0717
Residual factor for significantly intense reflections	0.0538
Weighted residual factors for significantly intense reflections	0.1641
Weighted residual factors for all reflections included in the refinement	0.1798
Goodness-of-fit parameter for all reflections included in the refinement	1.282
Diffraction radiation wavelength	1.34139 Å
Diffraction radiation type	GaKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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