Crystallography Open Database

Information card for entry 1557847

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Structure parameters

Chemical name	2,6-Diphenyl-3-(prop-2-en-1-yl)piperidin-4-one
Formula	C20 H21 N O
Calculated formula	C20 H21 N O
SMILES	O=C1C[C@H](N[C@H]([C@@H]1CC=C)c1ccccc1)c1ccccc1.O=C1C[C@@H](N[C@@H]([C@H]1CC=C)c1ccccc1)c1ccccc1
Title of publication	2,6-Diphenyl-3-(prop-2-en-1-yl)piperidin-4-one
Authors of publication	Manjula, V.; Venkateswaramoorthi, R.; Dharmaraja, J.; Selvanayagam, S.
Journal of publication	IUCrData
Year of publication	2020
Journal volume	5
Journal issue	4
Pages of publication	x200526
a	16.7588 ± 0.0004 Å
b	23.4597 ± 0.0005 Å
c	8.7769 ± 0.0002 Å
α	90°
β	98.771 ± 0.001°
γ	90°
Cell volume	3410.34 ± 0.13 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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	0.1723
Residual factor for significantly intense reflections	0.0797
Weighted residual factors for significantly intense reflections	0.1648
Weighted residual factors for all reflections included in the refinement	0.2005
Goodness-of-fit parameter for all reflections included in the refinement	1.03
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

Revision	Date	Message	Files
251012 (current)	2020-04-22	cif/ hkl/ Adding structures of 1557847 via cif-deposit CGI script.	1557847.cif 1557847.hkl