Crystallography Open Database

Information card for entry 4082601

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Coordinates	4082601.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H41 B F3 N8 O8 P S W
Calculated formula	C27 H41 B F3 N8 O8 P S W
Title of publication	Tungsten-Mediated Selective Ring Opening of Vinylcyclopropanes
Authors of publication	Pienkos, Jared A.; Knisely, Anne T.; Liebov, Benjamin K.; Teran, Victor; Zottig, Victor E.; Sabat, Michal; Myers, William H.; Harman, W. Dean
Journal of publication	Organometallics
Year of publication	2014
Journal volume	33
Journal issue	1
Pages of publication	267
a	8.2256 ± 0.0001 Å
b	11.7447 ± 0.0002 Å
c	18.6276 ± 0.0003 Å
α	87.13°
β	87.567 ± 0.001°
γ	85.044 ± 0.001°
Cell volume	1789.27 ± 0.05 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	9
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.051
Residual factor for significantly intense reflections	0.0436
Weighted residual factors for significantly intense reflections	0.1329
Weighted residual factors for all reflections included in the refinement	0.1425
Goodness-of-fit parameter for all reflections included in the refinement	1.144
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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