Crystallography Open Database

Information card for entry 7224478

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Coordinates	7224478.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	(3R,4R,5R*)-5-phenyl-3-(triisopropylsilyloxy)-4-vinyldihydrofuran-2(3H)-one
Formula	C41.5 H61.5 O6 Si2
Calculated formula	C41.471 H61.413 O6 Si2
Title of publication	Reverse regioselectivity in Pd(0)/InI-mediated allylation of aldehydes with ε-amido-allylindiums generated from β-lactams. A new entry to non-racemic highly substituted γ-butyrolactones.
Authors of publication	Klimczak, Urszula Katarzyna; Staszewska-Krajewska, Olga; Zambroń, Bartosz Krzysztof
Journal of publication	RSC Adv.
Year of publication	2016
a	11.9536 ± 0.0005 Å
b	13.6314 ± 0.0006 Å
c	13.8816 ± 0.0006 Å
α	84.881 ± 0.003°
β	77.283 ± 0.003°
γ	88.864 ± 0.003°
Cell volume	2197.64 ± 0.17 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.096
Residual factor for significantly intense reflections	0.066
Weighted residual factors for significantly intense reflections	0.2084
Weighted residual factors for all reflections included in the refinement	0.2315
Goodness-of-fit parameter for all reflections included in the refinement	1.109
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
177177 (current)	2016-03-03	cif/ Adding structures of 7224478 via cif-deposit CGI script.	7224478.cif