Crystallography Open Database

Information card for entry 4028234

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Coordinates	4028234.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H18 O3 S
Calculated formula	C19 H18 O3 S
Title of publication	Highly Enantio- and Diastereoselective Allylic Alkylation of Morita-Baylis-Hillman Carbonates with Allyl Ketones
Authors of publication	Guanghu Tong; Bo Zhu; Richmond Lee; Wenguo Yang; Davin Tan; Caiyun Yang; Zhiqiang Han; Lin Yan; Kuo-Wei Huang; Zhiyong Jiang
Journal of publication	Journal of Organic Chemistry
Year of publication	2013
Journal volume	78
Pages of publication	5067 - 5072
a	17.0756 ± 0.0007 Å
b	17.0756 ± 0.0007 Å
c	5.7157 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	1666.56 ± 0.13 Å³
Cell temperature	103 ± 2 K
Ambient diffraction temperature	103 ± 2 K
Number of distinct elements	4
Space group number	76
Hermann-Mauguin space group symbol	P 41
Hall space group symbol	P 4w
Residual factor for all reflections	0.0591
Residual factor for significantly intense reflections	0.0453
Weighted residual factors for significantly intense reflections	0.1085
Weighted residual factors for all reflections included in the refinement	0.1295
Goodness-of-fit parameter for all reflections included in the refinement	1.097
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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