Crystallography Open Database

Information card for entry 2009904

2009903 << 2009904 >> 2009905

Preview

Coordinates	2009904.cif
Original IUCr paper	HTML

Structure parameters

Formula	C26 H26 Cl2 O4
Calculated formula	C26 H26 Cl2 O4
SMILES	COC1(OC)C=C(/C=C/c2ccc(cc2)Cl)C(C=C1/C=C/c1ccc(cc1)Cl)(OC)OC
Title of publication	Three tetramethylketals of 2,5-distyryl-[1,4]benzoquinones
Authors of publication	Irngartinger, H.; Lichenthäler, J.
Journal of publication	Acta Crystallographica Section C
Year of publication	1994
Journal volume	50
Journal issue	7
Pages of publication	1154 - 1156
a	12.732 ± 0.002 Å
b	10.318 ± 0.001 Å
c	9.014 ± 0.001 Å
α	90°
β	94.52 ± 0.04°
γ	90°
Cell volume	1180.5 ± 0.3 Å³
Cell temperature	293 K
Number of distinct elements	4
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for significantly intense reflections	0.045
Weighted residual factors for significantly intense reflections	0.056
Goodness-of-fit parameter for significantly intense reflections	2.32
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2009904.html