Crystallography Open Database

Information card for entry 7037161

Preview

Coordinates	7037161.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H39 P
Calculated formula	C30 H39 P
Title of publication	Synthesis of the first metal-free phosphanylphosphonate and its use in the "phospha-Wittig-Horner" reaction.
Authors of publication	Esfandiarfard, Keyhan; Arkhypchuk, Anna I.; Orthaber, Andreas; Ott, Sascha
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2016
Journal volume	45
Journal issue	5
Pages of publication	2201 - 2207
a	10.3513 ± 0.0012 Å
b	10.381 ± 0.0013 Å
c	24.524 ± 0.003 Å
α	94.404 ± 0.003°
β	98.422 ± 0.004°
γ	94.918 ± 0.004°
Cell volume	2586.6 ± 0.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	3
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.2216
Residual factor for significantly intense reflections	0.0828
Weighted residual factors for significantly intense reflections	0.1658
Weighted residual factors for all reflections included in the refinement	0.2228
Goodness-of-fit parameter for all reflections included in the refinement	0.956
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
176080 (current)	2016-02-05	cif/ Updating files of 7037161, 7037162 Original log message: Adding full bibliography for 7037161--7037162.cif.	7037161.cif
170244	2015-11-12	cif/ Adding structures of 7037161, 7037162 via cif-deposit CGI script.	7037161.cif