Crystallography Open Database

Information card for entry 3000047

Preview

No preview available: structure is on hold until 2015-10-13

Coordinates	Coordinates are not available: structure is on hold until 2015-10-13

Structure parameters

Formula	C40 H38 B2 F8 P2
Title of publication	Rapid one-pot synthesis of cycloheptatrienyl-phosphonium derivatives
Authors of publication	Samantha Kruse; Stephanie Hurst
Journal of publication	To be published in Tetrahedron Letters
a	13.8462 ± 0.0011 Å
b	15.3234 ± 0.0012 Å
c	34.197 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	7255.6 ± 1 Å³
Ambient diffraction temperature	150.15 K
Number of distinct elements	5
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.06
Residual factor for significantly intense reflections	0.0412
Weighted residual factors for significantly intense reflections	0.0951
Weighted residual factors for all reflections included in the refinement	0.1058
Goodness-of-fit parameter for all reflections included in the refinement	1.0479
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	No
Has disorder	No
Has F_obs	No

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