Crystallography Open Database

Information card for entry 1505521

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Structure parameters

Formula	C24 H23 N O2
Calculated formula	C24 H23 N O2
SMILES	O[C@@H](/C(=C/C=C)c1ccccc1)C(=O)N[C@H](C)c1cc2ccccc2cc1
Title of publication	Enantioselective reductive coupling of 1,3-enynes to glyoxalates mediated by hydrogen: asymmetric synthesis of beta,gamma-unsaturated alpha-hydroxy esters.
Authors of publication	Hong, Young-Taek; Cho, Chang-Woo; Skucas, Eduardas; Krische, Michael J.
Journal of publication	Organic letters
Year of publication	2007
Journal volume	9
Journal issue	19
Pages of publication	3745 - 3748
a	5.849 ± 0.0001 Å
b	16.363 ± 0.0004 Å
c	20.729 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	1983.91 ± 0.08 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	4
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	0.1029
Residual factor for significantly intense reflections	0.0525
Weighted residual factors for significantly intense reflections	0.1014
Weighted residual factors for all reflections included in the refinement	0.1175
Goodness-of-fit parameter for all reflections included in the refinement	1.048
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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