Crystallography Open Database

Information card for entry 1511923

1511922 << 1511923 >> 1511924

Preview

Coordinates	1511923.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H30 O7
Calculated formula	C33 H30 O7
SMILES	C1(=C[C@@H]([C@H]([C@H](/C(=C(c2ccccc2)\C=C\C(=O)OC)C(=O)OC)O1)c1ccccc1)c1ccccc1)C(=O)OC.C1(=C[C@H]([C@@H]([C@@H](/C(=C(c2ccccc2)\C=C\C(=O)OC)C(=O)OC)O1)c1ccccc1)c1ccccc1)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	10.6078 ± 0.001 Å
b	11.7116 ± 0.0011 Å
c	13.0714 ± 0.0013 Å
α	103.006 ± 0.002°
β	107.583 ± 0.002°
γ	105.221 ± 0.002°
Cell volume	1409.6 ± 0.2 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 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	0.0906
Residual factor for significantly intense reflections	0.0581
Weighted residual factors for significantly intense reflections	0.1268
Weighted residual factors for all reflections included in the refinement	0.1428
Goodness-of-fit parameter for all reflections included in the refinement	1.031
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.	1511923.cif
85812	2013-05-07	cif/ Adding structures of 1511923 via cif-deposit CGI script.	1511923.cif