Crystallography Open Database

Information card for entry 2018185

2018184 << 2018185 >> 2018186

Preview

Coordinates	2018185.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	diethyl 3-oxo-2-(triphenylphosphoranylidene)glutarate
Formula	C27 H27 O5 P
Calculated formula	C27 H27 O5 P
Title of publication	Conformations of diester triphenylphosphonium ylides with an ylidic ester or keto and ester ylidic groups
Authors of publication	Castañeda, Fernando; Silva, Paul; Bunton, Clifford A.; Garland, María Teresa; Baggio, Ricardo
Journal of publication	Acta Crystallographica Section C
Year of publication	2011
Journal volume	67
Journal issue	8
Pages of publication	o319 - o323
a	9.0348 ± 0.001 Å
b	10.377 ± 0.0011 Å
c	13.8951 ± 0.0015 Å
α	95.994 ± 0.002°
β	108.342 ± 0.002°
γ	107.304 ± 0.002°
Cell volume	1152 ± 0.2 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 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	0.0584
Residual factor for significantly intense reflections	0.05
Weighted residual factors for significantly intense reflections	0.136
Weighted residual factors for all reflections included in the refinement	0.1431
Goodness-of-fit parameter for all reflections included in the refinement	1.085
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
176760 (current)	2016-02-20	cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01.	2018185.cif
125873	2014-10-25	cod/ (saulius@koala.ibt.lt) Adding DOIs to 1887 Acta Cryst. CIFs, their DOIs fetched using ACCE codes.	2018185.cif
27009	2011-09-29	../uploads/cif-deposit/cod/cif Adding structures of 2018185, 2018186, 2018187 via cif-deposit CGI script.	2018185.cif