Crystallography Open Database

Information card for entry 1506235

Preview

Coordinates	1506235.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	N-((Z)-1-((2R,3S)-3-hydroxy-3-methyl-2- phenylcyclohexylidene)(phenyl)methyl)valamide
Formula	C25 H31 N O2
Calculated formula	C25 H31 N O2
Title of publication	Oxonitriles: a grignard addition-acylation route to enamides.
Authors of publication	Fleming, Fraser F.; Wei, Guoqing; Zhang, Zhiyu; Steward, Omar W.
Journal of publication	Organic letters
Year of publication	2006
Journal volume	8
Journal issue	21
Pages of publication	4903 - 4906
a	10.1 ± 0.0001 Å
b	17.0482 ± 0.0002 Å
c	20.4921 ± 0.0002 Å
α	102.669 ± 0.001°
β	96.006 ± 0.001°
γ	106.526 ± 0.001°
Cell volume	3247.31 ± 0.07 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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	0.0714
Residual factor for significantly intense reflections	0.044
Weighted residual factors for significantly intense reflections	0.1277
Weighted residual factors for all reflections included in the refinement	0.1486
Goodness-of-fit parameter for all reflections included in the refinement	0.912
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	1506235.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1506235.cif
48109	2012-03-26	../uploads/cif-deposit/cod/cif Adding structures of 1506235 via cif-deposit CGI script.	1506235.cif