Crystallography Open Database

Information card for entry 4119878

4119877 << 4119878 >> 4119879

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Structure parameters

Formula	C21 H22 N2 O5
Calculated formula	C21 H22 N2 O5
SMILES	O(C)c1ccc(N2[C@]3(c4cc(OC)ccc4N[C@@](C2=O)(C3)C)C(=O)OC)cc1.O(C)c1ccc(N2[C@@]3(c4cc(OC)ccc4N[C@](C2=O)(C3)C)C(=O)OC)cc1
Title of publication	A Highly Diastereo- and Enantioselective Synthesis of Tetrahydroquinolines: Quaternary Stereogenic Center Inversion and Functionalization
Authors of publication	Chaosheng Luo; Yong Huang
Journal of publication	Journal of the American Chemical Society
Year of publication	2013
Journal volume	135
Pages of publication	8193 - 8196
a	23.1051 ± 0.0004 Å
b	9.133 ± 0.0002 Å
c	18.7882 ± 0.0013 Å
α	90°
β	91.64 ± 0.011°
γ	90°
Cell volume	3963 ± 0.3 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	4
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	0.0507
Residual factor for significantly intense reflections	0.0412
Weighted residual factors for significantly intense reflections	0.1133
Weighted residual factors for all reflections included in the refinement	0.1204
Goodness-of-fit parameter for all reflections included in the refinement	1.005
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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