Crystallography Open Database

Information card for entry 4110740

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Coordinates	4110740.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H23.3333 N O3 S
Calculated formula	C20 H21 N O3 S
Title of publication	Highly Stereoselective Asymmetric Pummerer Reactions That Incorporate Intermolecular and Intramolecular Nonbonded S...O Interactions
Authors of publication	Yoshimitsu Nagao; Satoshi Miyamoto; Motoyuki Miyamoto; Hiroe Takeshige; Kazuhiko Hayashi; Shigeki Sano; Motoo Shiro; Kentaro Yamaguchi; Yoshihisa Sei
Journal of publication	Journal of the American Chemical Society
Year of publication	2006
Journal volume	128
Pages of publication	9722 - 9729
a	16.0529 ± 0.0006 Å
b	16.0529 ± 0.0006 Å
c	13.3484 ± 0.001 Å
α	90°
β	90°
γ	120°
Cell volume	2979 ± 0.3 Å³
Cell temperature	93.1 K
Number of distinct elements	5
Space group number	144
Hermann-Mauguin space group symbol	P 31
Hall space group symbol	P 31
Residual factor for significantly intense reflections	0.0476
Weighted residual factors for all reflections included in the refinement	0.1173
Goodness-of-fit parameter for all reflections included in the refinement	1.077
Diffraction radiation wavelength	1.54187 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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