Crystallography Open Database

Information card for entry 4021593

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Coordinates	4021593.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H29 F3 N2 O7 S
Calculated formula	C27 H29 F3 N2 O7 S
Title of publication	Diastereoselection in the Formation of Spirocyclic Oxindoles by the Intramolecular Heck Reaction
Authors of publication	Larry E. Overman; Donald A. Watson
Journal of publication	Journal of Organic Chemistry
Year of publication	2006
Journal volume	71
Pages of publication	2587 - 2599
a	36.9551 ± 0.0017 Å
b	7.1733 ± 0.0003 Å
c	27.3839 ± 0.0013 Å
α	90°
β	129.196 ± 0.001°
γ	90°
Cell volume	5625.8 ± 0.4 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0745
Residual factor for significantly intense reflections	0.0535
Weighted residual factors for significantly intense reflections	0.1267
Weighted residual factors for all reflections included in the refinement	0.1399
Goodness-of-fit parameter for all reflections included in the refinement	1.047
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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