Crystallography Open Database

Information card for entry 7219285

7219284 << 7219285 >> 7219286

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Coordinates	7219285.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H25 N O4
Calculated formula	C19 H25 N O4
Title of publication	An insight into the synthesis of novel aryl-substituted alicyclic β-amino acid derivatives through substrate-directed palladium-catalysed regio- and stereoselective cross-coupling
Authors of publication	Nonn, Melinda; Kiss, Lorand; Hänninen, Mikko; Fulop, Ferenc
Journal of publication	RSC Adv.
Year of publication	2015
a	14.778 ± 0.003 Å
b	6.9181 ± 0.0014 Å
c	17.853 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	1825.2 ± 0.7 Å³
Cell temperature	123 K
Ambient diffraction temperature	123 K
Number of distinct elements	4
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.0676
Residual factor for significantly intense reflections	0.0549
Weighted residual factors for significantly intense reflections	0.1389
Weighted residual factors for all reflections included in the refinement	0.1478
Goodness-of-fit parameter for all reflections included in the refinement	1.075
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
180523 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/92.	7219285.cif
129581	2015-01-13	cif/ Adding structures of 7219285 via cif-deposit CGI script.	7219285.cif