Crystallography Open Database

Information card for entry 7042946

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Coordinates	7042946.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C35 H49.96 B1.96 Ge0.05 N2
Calculated formula	C35 H49.955 B1.955 Ge0.045 N2
Title of publication	Organocatalytic hydroborylation promoted by N-heterocyclic olefins
Authors of publication	Hering-Junghans, Christian; Watson, Ian; Ferguson, Michael J.; McDonald, Robert; Rivard, Eric
Journal of publication	Dalton Trans.
Year of publication	2017
a	10.528 ± 0.0002 Å
b	21.2551 ± 0.0004 Å
c	15.0977 ± 0.0003 Å
α	90°
β	96.2795 ± 0.0013°
γ	90°
Cell volume	3358.2 ± 0.11 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
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	0.0808
Residual factor for significantly intense reflections	0.0598
Weighted residual factors for significantly intense reflections	0.16
Weighted residual factors for all reflections included in the refinement	0.1784
Goodness-of-fit parameter for all reflections included in the refinement	1.039
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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