Crystallography Open Database

Information card for entry 7100278

Preview

Coordinates	7100278.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H44 Cl Cu N3 O10
Calculated formula	C27 H44 Cl Cu N3 O10
SMILES	C1(C(=C(C)O[Cu]2([N]3=C(C(C4=[N]2[C@H](CO4)C(C)C)(C2=N[C@H](CO2)C(C)C)C)OC[C@@H]3C(C)C)([O]=1)OCl(=O)(=O)=O)C)OCC
Title of publication	Exploiting C3-Symmetry in the Dynamic Coordination of a Chiral Trisoxazoline to Copper(II): Improved Enantioselectivity, and Catalyst Stability in Asymmetric Lewis Acid Catalysis
Authors of publication	Lutz Gade; Stephane Bellemin-Laponnaz; Carole Foltz; Guido Marconi; Bjorn Stecker; Hubert Wadepohl
Journal of publication	Chemical Communications
Year of publication	2005
a	9.5398 ± 0.0008 Å
b	11.5517 ± 0.0009 Å
c	28.674 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	3159.9 ± 0.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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