Crystallography Open Database

Information card for entry 1553497

Preview

Coordinates	1553497.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H17 N O4
Calculated formula	C19 H17 N O4
SMILES	N1(C(=O)c2ccccc2C1=O)CC(C(=O)O)c1cc(cc(c1)C)C
Title of publication	An effective route to β2-amino acid derivatives via Pd-catalyzed regioselective hydrocarboxylation of 1,2-disubstituted enimides
Authors of publication	Dai, Jie; Ren, Wenlong; Chang, Wenju; Zhang, Ping; Shi, Yian
Journal of publication	Organic Chemistry Frontiers
Year of publication	2017
Journal volume	4
Journal issue	2
Pages of publication	297
a	8.125 ± 0.0016 Å
b	9.328 ± 0.0019 Å
c	11.408 ± 0.002 Å
α	90.91 ± 0.03°
β	96.19 ± 0.03°
γ	107.69 ± 0.03°
Cell volume	817.8 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1599
Residual factor for significantly intense reflections	0.0691
Weighted residual factors for significantly intense reflections	0.1238
Weighted residual factors for all reflections included in the refinement	0.1481
Goodness-of-fit parameter for all reflections included in the refinement	1.001
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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