Crystallography Open Database

Information card for entry 7715367

Preview

Coordinates	7715367.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C76 H80 Ge2 P2
Calculated formula	C76 H80 Ge2 P2
SMILES	[Ge]1(C(=P(C2=C[C@H]([Ge](C(=P(c3ccccc3)(c3ccccc3)c3ccccc3)C)(c3c(C)cc(C)cc3C)c3c(C)cc(C)cc3C)C=C[C@@H]12)(c1ccccc1)c1ccccc1)C)(c1c(C)cc(C)cc1C)c1c(cc(cc1C)C)C.[Ge]1(C(=P(C2=C[C@@H]([Ge](C(=P(c3ccccc3)(c3ccccc3)c3ccccc3)C)(c3c(C)cc(C)cc3C)c3c(C)cc(C)cc3C)C=C[C@H]12)(c1ccccc1)c1ccccc1)C)(c1c(C)cc(C)cc1C)c1c(cc(cc1C)C)C
Title of publication	Intramolecular dearomative 1,4-addition of silyl and germyl radicals to a phenyl moiety.
Authors of publication	Krämer, Felix; Wenzel, Jonas O.; Fernández, Israel; Breher, Frank
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2024
Journal volume	53
Journal issue	7
Pages of publication	2917 - 2921
a	14.2708 ± 0.0013 Å
b	17.2871 ± 0.0017 Å
c	17.33 ± 0.0015 Å
α	105.786 ± 0.007°
β	100.35 ± 0.007°
γ	113.369 ± 0.007°
Cell volume	3570.9 ± 0.7 Å³
Cell temperature	200 K
Ambient diffraction temperature	200 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0984
Residual factor for significantly intense reflections	0.0544
Weighted residual factors for significantly intense reflections	0.1331
Weighted residual factors for all reflections included in the refinement	0.1528
Goodness-of-fit parameter for all reflections included in the refinement	1.042
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
290061 (current)	2024-03-04	cif/ Adding structures of 7715367 via cif-deposit CGI script.	7715367.cif