Crystallography Open Database

Information card for entry 3000045

Preview

No preview available: structure is on hold until 2015-10-11

Coordinates	Coordinates are not available: structure is on hold until 2015-10-11

Structure parameters

Formula	C48 H42 B2 F8 Fe P2
Authors of publication	Stephanie Hurst
Journal of publication	To be published in Tetrahedron Letters
a	8.0308 ± 0.0006 Å
b	10.9214 ± 0.0008 Å
c	13.6971 ± 0.001 Å
α	111.541 ± 0.002°
β	106.715 ± 0.002°
γ	92.889 ± 0.002°
Cell volume	1053.68 ± 0.14 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	6
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0431
Residual factor for significantly intense reflections	0.0334
Weighted residual factors for significantly intense reflections	0.0794
Weighted residual factors for all reflections included in the refinement	0.0838
Goodness-of-fit parameter for all reflections included in the refinement	1.037
Diffraction radiation wavelength	0.7749 Å
Has coordinates	No
Has disorder	No
Has F_obs	No

Version history

Not available for prepublication material.