Crystallography Open Database

Information card for entry 7039548

Preview

Coordinates	7039548.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H26 Al D6 K O
Calculated formula	C34 H26 Al D6 K O
Title of publication	Synthesis of novel chiral heterometallic terpene oximates: unusual generation of an aluminium enolate by a cooperative effect.
Authors of publication	Fernández-Millán, María; Temprado, Manuel; Cano, Jesús; Cuenca, Tomás; Mosquera, Marta E. G.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2016
Journal volume	45
Journal issue	26
Pages of publication	10514 - 10518
a	9.3304 ± 0.0019 Å
b	22.004 ± 0.007 Å
c	14.487 ± 0.004 Å
α	90°
β	92.699 ± 0.019°
γ	90°
Cell volume	2971 ± 1.4 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	6
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	0.1551
Residual factor for significantly intense reflections	0.072
Weighted residual factors for significantly intense reflections	0.1425
Weighted residual factors for all reflections included in the refinement	0.1648
Goodness-of-fit parameter for all reflections included in the refinement	1.026
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
185352 (current)	2016-08-07	cif/ Updating files of 7039548, 7039549, 7039550, 7039551 Original log message: Adding full bibliography for 7039548--7039551.cif.	7039548.cif
183519	2016-06-16	cif/ Adding structures of 7039548, 7039549, 7039550, 7039551 via cif-deposit CGI script.	7039548.cif