Crystallography Open Database

Information card for entry 4104876

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Coordinates	4104876.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H33 Al N2 O3 S
Calculated formula	C32 H33 Al N2 O3 S
Title of publication	Stereogenic-at-Metal Zn- and Al-Based N-Heterocyclic Carbene (NHC) Complexes as Bifunctional Catalysts in Cu-Free Enantioselective Allylic Alkylations
Authors of publication	Yunmi Lee; Bo Li; Amir H. Hoveyda
Journal of publication	Journal of the American Chemical Society
Year of publication	2009
Journal volume	131
Pages of publication	11625 - 11633
a	9.4495 ± 0.0007 Å
b	15.3667 ± 0.0011 Å
c	20.6704 ± 0.0015 Å
α	90°
β	90°
γ	90°
Cell volume	3001.5 ± 0.4 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.071
Residual factor for significantly intense reflections	0.0481
Weighted residual factors for significantly intense reflections	0.1027
Weighted residual factors for all reflections included in the refinement	0.1139
Goodness-of-fit parameter for all reflections included in the refinement	1.027
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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