Crystallography Open Database

Information card for entry 2202511

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Structure parameters

Common name	3-carbethoxy-2,6-diphenyl-4-piperidone
Chemical name	Ethyl 4-oxo-2,6-diphenyl-4-piperidine-3-carboxylate
Formula	C20 H21 N O3
Calculated formula	C20 H21 N O3
SMILES	O=C1[C@@H]([C@H](N[C@H](C1)c1ccccc1)c1ccccc1)C(=O)OCC.O=C1[C@H]([C@@H](N[C@@H](C1)c1ccccc1)c1ccccc1)C(=O)OCC
Title of publication	Ethyl 4-oxo-2,6-diphenyl-4-piperidine-3-carboxylate
Authors of publication	M. Subha Nandhini; V. Vijayakumar; A. Mostad; M. Sundaravadivelu; S. Natarajan
Journal of publication	Acta Crystallographica Section E
Year of publication	2003
Journal volume	59
Journal issue	11
Pages of publication	o1672 - o1674
a	20.261 ± 0.004 Å
b	7.5561 ± 0.0015 Å
c	23.034 ± 0.005 Å
α	90°
β	100.11 ± 0.03°
γ	90°
Cell volume	3471.6 ± 1.3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0872
Residual factor for significantly intense reflections	0.0676
Weighted residual factors for significantly intense reflections	0.1661
Weighted residual factors for all reflections included in the refinement	0.183
Goodness-of-fit parameter for all reflections included in the refinement	1.103
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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