Crystallography Open Database

Information card for entry 7707964

Preview

Coordinates	7707964.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H44 Ge O2
Calculated formula	C38 H44 Ge O2
SMILES	[Ge](C(=O)c1c(cc(cc1C)C)C)(C(=O)c1c(cc(cc1C)C)C)(c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C
Title of publication	Synthesis and characterization of diacylgermanes: persistent derivatives with superior photoreactivity.
Authors of publication	Püschmann, Sabrina D; Frühwirt, Philipp; Müller, Stefanie M; Wagner, Stefan H.; Torvisco, Ana; Fischer, Roland C.; Kelterer, Anne-Marie; Griesser, Thomas; Gescheidt, Georg; Haas, Michael
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2021
Journal volume	50
Journal issue	34
Pages of publication	11965 - 11974
a	13.8778 ± 0.0007 Å
b	13.9293 ± 0.0007 Å
c	16.3118 ± 0.0008 Å
α	90°
β	100.182 ± 0.003°
γ	90°
Cell volume	3103.5 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	99.98 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0501
Residual factor for significantly intense reflections	0.0353
Weighted residual factors for significantly intense reflections	0.0851
Weighted residual factors for all reflections included in the refinement	0.0926
Goodness-of-fit parameter for all reflections included in the refinement	1.032
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
268803 (current)	2021-09-06	cif/ Updating files of 7707961, 7707962, 7707963, 7707964, 7707965 Original log message: Adding full bibliography for 7707961--7707965.cif.	7707964.cif
267968	2021-08-06	cif/ Adding structures of 7707961, 7707962, 7707963, 7707964, 7707965 via cif-deposit CGI script.	7707964.cif