Crystallography Open Database

Information card for entry 1511924

1511923 << 1511924 >> 1511925

Preview

Coordinates	1511924.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H32 O5
Calculated formula	C28 H32 O5
SMILES	[C@@]1([C@H](C=C(C(=O)OC)O1)c1c(cc(cc1C)C)C)(C(=O)OC)/C=C/c1c(cc(cc1C)C)C.C1(=C[C@H]([C@@](C(=O)OC)(/C=C/c2c(cc(cc2C)C)C)O1)c1c(cc(cc1C)C)C)C(=O)OC
Title of publication	Reductive Homocondensation of Benzylidene- and Alkylidenepyruvate Esters by a P(NMe2)3-Mediated Tandem Reaction.
Authors of publication	Wang, Sunewang Rixin; Radosevich, Alexander T.
Journal of publication	Organic letters
Year of publication	2013
Journal volume	15
Journal issue	8
Pages of publication	1926 - 1929
a	10.046 ± 0.004 Å
b	12.149 ± 0.005 Å
c	22.277 ± 0.01 Å
α	77.506 ± 0.01°
β	77.945 ± 0.007°
γ	89.988 ± 0.007°
Cell volume	2593.1 ± 1.9 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 2 K
Number of distinct elements	3
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1426
Residual factor for significantly intense reflections	0.0712
Weighted residual factors for significantly intense reflections	0.2002
Weighted residual factors for all reflections included in the refinement	0.2463
Goodness-of-fit parameter for all reflections included in the refinement	1.028
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
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1511924.cif
85813	2013-05-07	cif/ Adding structures of 1511924 via cif-deposit CGI script.	1511924.cif