Crystallography Open Database

Information card for entry 7027944

Preview

Structure parameters

Formula	C94 H112 Ge2 O3
Calculated formula	C94 H112 Ge2 O3
Title of publication	Reactions of germenes with various naphthoquinones controlled by substituent effects
Authors of publication	Ghereg, Dumitru; Gornitzka, Heinz; Ranaivonjatovo, Henri; Escudié, Jean
Journal of publication	Dalton Transactions
Year of publication	2010
Journal volume	39
Journal issue	8
Pages of publication	2016 - 2022
a	12.547 ± 0.0006 Å
b	17.4292 ± 0.0008 Å
c	19.4232 ± 0.0011 Å
α	95.521 ± 0.002°
β	93.11 ± 0.003°
γ	108.741 ± 0.003°
Cell volume	3987.3 ± 0.4 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 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	0.258
Residual factor for significantly intense reflections	0.068
Weighted residual factors for significantly intense reflections	0.0859
Weighted residual factors for all reflections included in the refinement	0.1266
Goodness-of-fit parameter for all reflections included in the refinement	0.703
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
301848 (current)	2025-08-21	Add cross-references to PubChem compounds in COD range 7/02/ Each referenced PubChem compound corresponds to the full crystal structure.	7027944.cif
179985	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/79.	7027944.cif
96668	2014-01-29	cif/ Adding structures of 7027941, 7027942, 7027943, 7027944 via cif-deposit CGI script.	7027944.cif