Crystallography Open Database

Information card for entry 4079937

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Coordinates	4079937.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H38 N2 O6 P2 W
Calculated formula	C40 H38 N2 O6 P2 W
Title of publication	Metal-Template-Controlled Stabilization of β-Functionalized Isocyanides
Authors of publication	Dumke, A. Carolin; Pape, Tania; Kösters, Jutta; Feldmann, Kai-Oliver; Schulte to Brinke, Christian; Hahn, F. Ekkehardt
Journal of publication	Organometallics
Year of publication	2013
Journal volume	32
Journal issue	1
Pages of publication	289
a	11.9808 ± 0.001 Å
b	12.1509 ± 0.001 Å
c	13.7515 ± 0.0011 Å
α	100.148 ± 0.001°
β	100.671 ± 0.001°
γ	103.831 ± 0.001°
Cell volume	1858.6 ± 0.3 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 1 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0355
Residual factor for significantly intense reflections	0.0281
Weighted residual factors for significantly intense reflections	0.0591
Weighted residual factors for all reflections included in the refinement	0.0615
Goodness-of-fit parameter for all reflections included in the refinement	1.014
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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