Crystallography Open Database

Information card for entry 7113368

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Structure parameters

Formula	C29 H61 Li O3 P4
Calculated formula	C29 H61 Li O3 P4
Title of publication	[Li(thf)3cyclo-(P4tBu4CH)]–synthesis, molecular structure and dynamic behaviour.
Authors of publication	Wolf, Robert; Hey-Hawkins, Evamarie
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2004
Journal issue	22
Pages of publication	2626 - 2627
a	9.996 ± 0.005 Å
b	19.104 ± 0.005 Å
c	10.29 ± 0.005 Å
α	90 ± 0.005°
β	113.132 ± 0.005°
γ	90 ± 0.005°
Cell volume	1807 ± 1.3 Å³
Cell temperature	213 ± 2 K
Ambient diffraction temperature	213 ± 2 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0741
Residual factor for significantly intense reflections	0.0628
Weighted residual factors for significantly intense reflections	0.1313
Weighted residual factors for all reflections included in the refinement	0.1353
Goodness-of-fit parameter for all reflections included in the refinement	1.17
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
301857 (current)	2025-08-22	Add cross-references to PubChem compounds in COD range 7/11/ Each referenced PubChem compound corresponds to the full crystal structure.	7113368.cif
180247	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/33.	7113368.cif
114599	2014-05-28	cif/ Adding structures of 7113368 via cif-deposit CGI script.	7113368.cif