Crystallography Open Database

Information card for entry 4034278

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Structure parameters

Formula	C19 H18 N2 O3
Calculated formula	C19 H18 N2 O3
SMILES	O=C1NC(=C([C@H](N1)c1ccccc1)C(=O)OCC)c1ccccc1
Title of publication	Enantioselective Synthesis of 3,4-Dihydropyrimidin-2(1 H)-ones through Organocatalytic Transfer Hydrogenation of 2-Hydroxypyrimidines.
Authors of publication	Meng, Fan-Jie; Shi, Lei; Feng, Guang-Shou; Sun, Lei; Zhou, Yong-Gui
Journal of publication	The Journal of organic chemistry
Year of publication	2019
Journal volume	84
Journal issue	7
Pages of publication	4435 - 4442
a	11.7922 ± 0.0002 Å
b	14.2337 ± 0.0003 Å
c	21.0488 ± 0.0004 Å
α	90°
β	102.785 ± 0.001°
γ	90°
Cell volume	3445.38 ± 0.11 Å³
Cell temperature	270 ± 2 K
Ambient diffraction temperature	270 ± 2 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0631
Residual factor for significantly intense reflections	0.0449
Weighted residual factors for significantly intense reflections	0.0992
Weighted residual factors for all reflections included in the refinement	0.1114
Goodness-of-fit parameter for all reflections included in the refinement	1.041
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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